diff --git a/src/ASPHERE/pair_gayberne.cpp b/src/ASPHERE/pair_gayberne.cpp index 93b164c503..ea5a7e9aaa 100644 --- a/src/ASPHERE/pair_gayberne.cpp +++ b/src/ASPHERE/pair_gayberne.cpp @@ -28,6 +28,7 @@ #include "citeme.h" #include "memory.h" #include "error.h" +#include "utils.h" using namespace LAMMPS_NS; @@ -460,20 +461,20 @@ void PairGayBerne::read_restart(FILE *fp) int i,j; int me = comm->me; for (i = 1; i <= atom->ntypes; i++) { - if (me == 0) fread(&setwell[i],sizeof(int),1,fp); + if (me == 0) utils::sfread(FLERR,&setwell[i],sizeof(int),1,fp,NULL,error); MPI_Bcast(&setwell[i],1,MPI_INT,0,world); if (setwell[i]) { - if (me == 0) fread(&well[i][0],sizeof(double),3,fp); + if (me == 0) utils::sfread(FLERR,&well[i][0],sizeof(double),3,fp,NULL,error); MPI_Bcast(&well[i][0],3,MPI_DOUBLE,0,world); } for (j = i; j <= atom->ntypes; j++) { - if (me == 0) fread(&setflag[i][j],sizeof(int),1,fp); + if (me == 0) utils::sfread(FLERR,&setflag[i][j],sizeof(int),1,fp,NULL,error); MPI_Bcast(&setflag[i][j],1,MPI_INT,0,world); if (setflag[i][j]) { if (me == 0) { - fread(&epsilon[i][j],sizeof(double),1,fp); - fread(&sigma[i][j],sizeof(double),1,fp); - fread(&cut[i][j],sizeof(double),1,fp); + utils::sfread(FLERR,&epsilon[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&sigma[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&cut[i][j],sizeof(double),1,fp,NULL,error); } MPI_Bcast(&epsilon[i][j],1,MPI_DOUBLE,0,world); MPI_Bcast(&sigma[i][j],1,MPI_DOUBLE,0,world); @@ -505,12 +506,12 @@ void PairGayBerne::read_restart_settings(FILE *fp) { int me = comm->me; if (me == 0) { - fread(&gamma,sizeof(double),1,fp); - fread(&upsilon,sizeof(double),1,fp); - fread(&mu,sizeof(double),1,fp); - fread(&cut_global,sizeof(double),1,fp); - fread(&offset_flag,sizeof(int),1,fp); - fread(&mix_flag,sizeof(int),1,fp); + utils::sfread(FLERR,&gamma,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&upsilon,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&mu,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&cut_global,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&offset_flag,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&mix_flag,sizeof(int),1,fp,NULL,error); } MPI_Bcast(&gamma,1,MPI_DOUBLE,0,world); MPI_Bcast(&upsilon,1,MPI_DOUBLE,0,world); diff --git a/src/ASPHERE/pair_resquared.cpp b/src/ASPHERE/pair_resquared.cpp index f139564320..dd4b11935e 100644 --- a/src/ASPHERE/pair_resquared.cpp +++ b/src/ASPHERE/pair_resquared.cpp @@ -27,6 +27,7 @@ #include "neigh_list.h" #include "memory.h" #include "error.h" +#include "utils.h" using namespace LAMMPS_NS; @@ -438,20 +439,20 @@ void PairRESquared::read_restart(FILE *fp) int i,j; int me = comm->me; for (i = 1; i <= atom->ntypes; i++) { - if (me == 0) fread(&setwell[i],sizeof(int),1,fp); + if (me == 0) utils::sfread(FLERR,&setwell[i],sizeof(int),1,fp,NULL,error); MPI_Bcast(&setwell[i],1,MPI_INT,0,world); if (setwell[i]) { - if (me == 0) fread(&well[i][0],sizeof(double),3,fp); + if (me == 0) utils::sfread(FLERR,&well[i][0],sizeof(double),3,fp,NULL,error); MPI_Bcast(&well[i][0],3,MPI_DOUBLE,0,world); } for (j = i; j <= atom->ntypes; j++) { - if (me == 0) fread(&setflag[i][j],sizeof(int),1,fp); + if (me == 0) utils::sfread(FLERR,&setflag[i][j],sizeof(int),1,fp,NULL,error); MPI_Bcast(&setflag[i][j],1,MPI_INT,0,world); if (setflag[i][j]) { if (me == 0) { - fread(&epsilon[i][j],sizeof(double),1,fp); - fread(&sigma[i][j],sizeof(double),1,fp); - fread(&cut[i][j],sizeof(double),1,fp); + utils::sfread(FLERR,&epsilon[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&sigma[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&cut[i][j],sizeof(double),1,fp,NULL,error); } MPI_Bcast(&epsilon[i][j],1,MPI_DOUBLE,0,world); MPI_Bcast(&sigma[i][j],1,MPI_DOUBLE,0,world); @@ -479,8 +480,8 @@ void PairRESquared::read_restart_settings(FILE *fp) { int me = comm->me; if (me == 0) { - fread(&cut_global,sizeof(double),1,fp); - fread(&mix_flag,sizeof(int),1,fp); + utils::sfread(FLERR,&cut_global,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&mix_flag,sizeof(int),1,fp,NULL,error); } MPI_Bcast(&cut_global,1,MPI_DOUBLE,0,world); MPI_Bcast(&mix_flag,1,MPI_INT,0,world); diff --git a/src/CLASS2/angle_class2.cpp b/src/CLASS2/angle_class2.cpp index 99e1b39c9d..fe567ead34 100644 --- a/src/CLASS2/angle_class2.cpp +++ b/src/CLASS2/angle_class2.cpp @@ -27,6 +27,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" +#include "utils.h" using namespace LAMMPS_NS; using namespace MathConst; @@ -372,19 +373,19 @@ void AngleClass2::read_restart(FILE *fp) allocate(); if (comm->me == 0) { - fread(&theta0[1],sizeof(double),atom->nangletypes,fp); - fread(&k2[1],sizeof(double),atom->nangletypes,fp); - fread(&k3[1],sizeof(double),atom->nangletypes,fp); - fread(&k4[1],sizeof(double),atom->nangletypes,fp); + utils::sfread(FLERR,&theta0[1],sizeof(double),atom->nangletypes,fp,NULL,error); + utils::sfread(FLERR,&k2[1],sizeof(double),atom->nangletypes,fp,NULL,error); + utils::sfread(FLERR,&k3[1],sizeof(double),atom->nangletypes,fp,NULL,error); + utils::sfread(FLERR,&k4[1],sizeof(double),atom->nangletypes,fp,NULL,error); - fread(&bb_k[1],sizeof(double),atom->nangletypes,fp); - fread(&bb_r1[1],sizeof(double),atom->nangletypes,fp); - fread(&bb_r2[1],sizeof(double),atom->nangletypes,fp); + utils::sfread(FLERR,&bb_k[1],sizeof(double),atom->nangletypes,fp,NULL,error); + utils::sfread(FLERR,&bb_r1[1],sizeof(double),atom->nangletypes,fp,NULL,error); + utils::sfread(FLERR,&bb_r2[1],sizeof(double),atom->nangletypes,fp,NULL,error); - fread(&ba_k1[1],sizeof(double),atom->nangletypes,fp); - fread(&ba_k2[1],sizeof(double),atom->nangletypes,fp); - fread(&ba_r1[1],sizeof(double),atom->nangletypes,fp); - fread(&ba_r2[1],sizeof(double),atom->nangletypes,fp); + utils::sfread(FLERR,&ba_k1[1],sizeof(double),atom->nangletypes,fp,NULL,error); + utils::sfread(FLERR,&ba_k2[1],sizeof(double),atom->nangletypes,fp,NULL,error); + utils::sfread(FLERR,&ba_r1[1],sizeof(double),atom->nangletypes,fp,NULL,error); + utils::sfread(FLERR,&ba_r2[1],sizeof(double),atom->nangletypes,fp,NULL,error); } MPI_Bcast(&theta0[1],atom->nangletypes,MPI_DOUBLE,0,world); diff --git a/src/CLASS2/bond_class2.cpp b/src/CLASS2/bond_class2.cpp index cfc1a93bde..0651db75fb 100644 --- a/src/CLASS2/bond_class2.cpp +++ b/src/CLASS2/bond_class2.cpp @@ -24,6 +24,7 @@ #include "force.h" #include "memory.h" #include "error.h" +#include "utils.h" using namespace LAMMPS_NS; @@ -182,10 +183,10 @@ void BondClass2::read_restart(FILE *fp) allocate(); if (comm->me == 0) { - fread(&r0[1],sizeof(double),atom->nbondtypes,fp); - fread(&k2[1],sizeof(double),atom->nbondtypes,fp); - fread(&k3[1],sizeof(double),atom->nbondtypes,fp); - fread(&k4[1],sizeof(double),atom->nbondtypes,fp); + utils::sfread(FLERR,&r0[1],sizeof(double),atom->nbondtypes,fp,NULL,error); + utils::sfread(FLERR,&k2[1],sizeof(double),atom->nbondtypes,fp,NULL,error); + utils::sfread(FLERR,&k3[1],sizeof(double),atom->nbondtypes,fp,NULL,error); + utils::sfread(FLERR,&k4[1],sizeof(double),atom->nbondtypes,fp,NULL,error); } MPI_Bcast(&r0[1],atom->nbondtypes,MPI_DOUBLE,0,world); MPI_Bcast(&k2[1],atom->nbondtypes,MPI_DOUBLE,0,world); diff --git a/src/CLASS2/dihedral_class2.cpp b/src/CLASS2/dihedral_class2.cpp index 725228666e..11faefee8f 100644 --- a/src/CLASS2/dihedral_class2.cpp +++ b/src/CLASS2/dihedral_class2.cpp @@ -27,6 +27,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" +#include "utils.h" using namespace LAMMPS_NS; using namespace MathConst; @@ -835,45 +836,45 @@ void DihedralClass2::read_restart(FILE *fp) allocate(); if (comm->me == 0) { - fread(&k1[1],sizeof(double),atom->ndihedraltypes,fp); - fread(&k2[1],sizeof(double),atom->ndihedraltypes,fp); - fread(&k3[1],sizeof(double),atom->ndihedraltypes,fp); - fread(&phi1[1],sizeof(double),atom->ndihedraltypes,fp); - fread(&phi2[1],sizeof(double),atom->ndihedraltypes,fp); - fread(&phi3[1],sizeof(double),atom->ndihedraltypes,fp); + utils::sfread(FLERR,&k1[1],sizeof(double),atom->ndihedraltypes,fp,NULL,error); + utils::sfread(FLERR,&k2[1],sizeof(double),atom->ndihedraltypes,fp,NULL,error); + utils::sfread(FLERR,&k3[1],sizeof(double),atom->ndihedraltypes,fp,NULL,error); + utils::sfread(FLERR,&phi1[1],sizeof(double),atom->ndihedraltypes,fp,NULL,error); + utils::sfread(FLERR,&phi2[1],sizeof(double),atom->ndihedraltypes,fp,NULL,error); + utils::sfread(FLERR,&phi3[1],sizeof(double),atom->ndihedraltypes,fp,NULL,error); - fread(&mbt_f1[1],sizeof(double),atom->ndihedraltypes,fp); - fread(&mbt_f2[1],sizeof(double),atom->ndihedraltypes,fp); - fread(&mbt_f3[1],sizeof(double),atom->ndihedraltypes,fp); - fread(&mbt_r0[1],sizeof(double),atom->ndihedraltypes,fp); + utils::sfread(FLERR,&mbt_f1[1],sizeof(double),atom->ndihedraltypes,fp,NULL,error); + utils::sfread(FLERR,&mbt_f2[1],sizeof(double),atom->ndihedraltypes,fp,NULL,error); + utils::sfread(FLERR,&mbt_f3[1],sizeof(double),atom->ndihedraltypes,fp,NULL,error); + utils::sfread(FLERR,&mbt_r0[1],sizeof(double),atom->ndihedraltypes,fp,NULL,error); - fread(&ebt_f1_1[1],sizeof(double),atom->ndihedraltypes,fp); - fread(&ebt_f2_1[1],sizeof(double),atom->ndihedraltypes,fp); - fread(&ebt_f3_1[1],sizeof(double),atom->ndihedraltypes,fp); - fread(&ebt_r0_1[1],sizeof(double),atom->ndihedraltypes,fp); + utils::sfread(FLERR,&ebt_f1_1[1],sizeof(double),atom->ndihedraltypes,fp,NULL,error); + utils::sfread(FLERR,&ebt_f2_1[1],sizeof(double),atom->ndihedraltypes,fp,NULL,error); + utils::sfread(FLERR,&ebt_f3_1[1],sizeof(double),atom->ndihedraltypes,fp,NULL,error); + utils::sfread(FLERR,&ebt_r0_1[1],sizeof(double),atom->ndihedraltypes,fp,NULL,error); - fread(&ebt_f1_2[1],sizeof(double),atom->ndihedraltypes,fp); - fread(&ebt_f2_2[1],sizeof(double),atom->ndihedraltypes,fp); - fread(&ebt_f3_2[1],sizeof(double),atom->ndihedraltypes,fp); - fread(&ebt_r0_2[1],sizeof(double),atom->ndihedraltypes,fp); + utils::sfread(FLERR,&ebt_f1_2[1],sizeof(double),atom->ndihedraltypes,fp,NULL,error); + utils::sfread(FLERR,&ebt_f2_2[1],sizeof(double),atom->ndihedraltypes,fp,NULL,error); + utils::sfread(FLERR,&ebt_f3_2[1],sizeof(double),atom->ndihedraltypes,fp,NULL,error); + utils::sfread(FLERR,&ebt_r0_2[1],sizeof(double),atom->ndihedraltypes,fp,NULL,error); - fread(&at_f1_1[1],sizeof(double),atom->ndihedraltypes,fp); - fread(&at_f2_1[1],sizeof(double),atom->ndihedraltypes,fp); - fread(&at_f3_1[1],sizeof(double),atom->ndihedraltypes,fp); - fread(&at_theta0_1[1],sizeof(double),atom->ndihedraltypes,fp); + utils::sfread(FLERR,&at_f1_1[1],sizeof(double),atom->ndihedraltypes,fp,NULL,error); + utils::sfread(FLERR,&at_f2_1[1],sizeof(double),atom->ndihedraltypes,fp,NULL,error); + utils::sfread(FLERR,&at_f3_1[1],sizeof(double),atom->ndihedraltypes,fp,NULL,error); + utils::sfread(FLERR,&at_theta0_1[1],sizeof(double),atom->ndihedraltypes,fp,NULL,error); - fread(&at_f1_2[1],sizeof(double),atom->ndihedraltypes,fp); - fread(&at_f2_2[1],sizeof(double),atom->ndihedraltypes,fp); - fread(&at_f3_2[1],sizeof(double),atom->ndihedraltypes,fp); - fread(&at_theta0_2[1],sizeof(double),atom->ndihedraltypes,fp); + utils::sfread(FLERR,&at_f1_2[1],sizeof(double),atom->ndihedraltypes,fp,NULL,error); + utils::sfread(FLERR,&at_f2_2[1],sizeof(double),atom->ndihedraltypes,fp,NULL,error); + utils::sfread(FLERR,&at_f3_2[1],sizeof(double),atom->ndihedraltypes,fp,NULL,error); + utils::sfread(FLERR,&at_theta0_2[1],sizeof(double),atom->ndihedraltypes,fp,NULL,error); - fread(&aat_k[1],sizeof(double),atom->ndihedraltypes,fp); - fread(&aat_theta0_1[1],sizeof(double),atom->ndihedraltypes,fp); - fread(&aat_theta0_2[1],sizeof(double),atom->ndihedraltypes,fp); + utils::sfread(FLERR,&aat_k[1],sizeof(double),atom->ndihedraltypes,fp,NULL,error); + utils::sfread(FLERR,&aat_theta0_1[1],sizeof(double),atom->ndihedraltypes,fp,NULL,error); + utils::sfread(FLERR,&aat_theta0_2[1],sizeof(double),atom->ndihedraltypes,fp,NULL,error); - fread(&bb13t_k[1],sizeof(double),atom->ndihedraltypes,fp); - fread(&bb13t_r10[1],sizeof(double),atom->ndihedraltypes,fp); - fread(&bb13t_r30[1],sizeof(double),atom->ndihedraltypes,fp); + utils::sfread(FLERR,&bb13t_k[1],sizeof(double),atom->ndihedraltypes,fp,NULL,error); + utils::sfread(FLERR,&bb13t_r10[1],sizeof(double),atom->ndihedraltypes,fp,NULL,error); + utils::sfread(FLERR,&bb13t_r30[1],sizeof(double),atom->ndihedraltypes,fp,NULL,error); } MPI_Bcast(&k1[1],atom->ndihedraltypes,MPI_DOUBLE,0,world); diff --git a/src/CLASS2/improper_class2.cpp b/src/CLASS2/improper_class2.cpp index ca7ac95239..a3b8b4b672 100644 --- a/src/CLASS2/improper_class2.cpp +++ b/src/CLASS2/improper_class2.cpp @@ -27,6 +27,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" +#include "utils.h" using namespace LAMMPS_NS; using namespace MathConst; @@ -604,15 +605,15 @@ void ImproperClass2::read_restart(FILE *fp) allocate(); if (comm->me == 0) { - fread(&k0[1],sizeof(double),atom->nimpropertypes,fp); - fread(&chi0[1],sizeof(double),atom->nimpropertypes,fp); + utils::sfread(FLERR,&k0[1],sizeof(double),atom->nimpropertypes,fp,NULL,error); + utils::sfread(FLERR,&chi0[1],sizeof(double),atom->nimpropertypes,fp,NULL,error); - fread(&aa_k1[1],sizeof(double),atom->nimpropertypes,fp); - fread(&aa_k2[1],sizeof(double),atom->nimpropertypes,fp); - fread(&aa_k3[1],sizeof(double),atom->nimpropertypes,fp); - fread(&aa_theta0_1[1],sizeof(double),atom->nimpropertypes,fp); - fread(&aa_theta0_2[1],sizeof(double),atom->nimpropertypes,fp); - fread(&aa_theta0_3[1],sizeof(double),atom->nimpropertypes,fp); + utils::sfread(FLERR,&aa_k1[1],sizeof(double),atom->nimpropertypes,fp,NULL,error); + utils::sfread(FLERR,&aa_k2[1],sizeof(double),atom->nimpropertypes,fp,NULL,error); + utils::sfread(FLERR,&aa_k3[1],sizeof(double),atom->nimpropertypes,fp,NULL,error); + utils::sfread(FLERR,&aa_theta0_1[1],sizeof(double),atom->nimpropertypes,fp,NULL,error); + utils::sfread(FLERR,&aa_theta0_2[1],sizeof(double),atom->nimpropertypes,fp,NULL,error); + utils::sfread(FLERR,&aa_theta0_3[1],sizeof(double),atom->nimpropertypes,fp,NULL,error); } MPI_Bcast(&k0[1],atom->nimpropertypes,MPI_DOUBLE,0,world); MPI_Bcast(&chi0[1],atom->nimpropertypes,MPI_DOUBLE,0,world); diff --git a/src/CLASS2/pair_lj_class2.cpp b/src/CLASS2/pair_lj_class2.cpp index a0088e52b7..641ca67226 100644 --- a/src/CLASS2/pair_lj_class2.cpp +++ b/src/CLASS2/pair_lj_class2.cpp @@ -24,6 +24,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" +#include "utils.h" using namespace LAMMPS_NS; using namespace MathConst; @@ -610,13 +611,13 @@ void PairLJClass2::read_restart(FILE *fp) int me = comm->me; for (i = 1; i <= atom->ntypes; i++) for (j = i; j <= atom->ntypes; j++) { - if (me == 0) fread(&setflag[i][j],sizeof(int),1,fp); + if (me == 0) utils::sfread(FLERR,&setflag[i][j],sizeof(int),1,fp,NULL,error); MPI_Bcast(&setflag[i][j],1,MPI_INT,0,world); if (setflag[i][j]) { if (me == 0) { - fread(&epsilon[i][j],sizeof(double),1,fp); - fread(&sigma[i][j],sizeof(double),1,fp); - fread(&cut[i][j],sizeof(double),1,fp); + utils::sfread(FLERR,&epsilon[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&sigma[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&cut[i][j],sizeof(double),1,fp,NULL,error); } MPI_Bcast(&epsilon[i][j],1,MPI_DOUBLE,0,world); MPI_Bcast(&sigma[i][j],1,MPI_DOUBLE,0,world); @@ -645,10 +646,10 @@ void PairLJClass2::read_restart_settings(FILE *fp) { int me = comm->me; if (me == 0) { - fread(&cut_global,sizeof(double),1,fp); - fread(&offset_flag,sizeof(int),1,fp); - fread(&mix_flag,sizeof(int),1,fp); - fread(&tail_flag,sizeof(int),1,fp); + utils::sfread(FLERR,&cut_global,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&offset_flag,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&mix_flag,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&tail_flag,sizeof(int),1,fp,NULL,error); } MPI_Bcast(&cut_global,1,MPI_DOUBLE,0,world); MPI_Bcast(&offset_flag,1,MPI_INT,0,world); diff --git a/src/CLASS2/pair_lj_class2_coul_cut.cpp b/src/CLASS2/pair_lj_class2_coul_cut.cpp index e999a3682e..89a0d74b5a 100644 --- a/src/CLASS2/pair_lj_class2_coul_cut.cpp +++ b/src/CLASS2/pair_lj_class2_coul_cut.cpp @@ -23,6 +23,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" +#include "utils.h" using namespace LAMMPS_NS; using namespace MathConst; @@ -362,14 +363,14 @@ void PairLJClass2CoulCut::read_restart(FILE *fp) int me = comm->me; for (i = 1; i <= atom->ntypes; i++) for (j = i; j <= atom->ntypes; j++) { - if (me == 0) fread(&setflag[i][j],sizeof(int),1,fp); + if (me == 0) utils::sfread(FLERR,&setflag[i][j],sizeof(int),1,fp,NULL,error); MPI_Bcast(&setflag[i][j],1,MPI_INT,0,world); if (setflag[i][j]) { if (me == 0) { - fread(&epsilon[i][j],sizeof(double),1,fp); - fread(&sigma[i][j],sizeof(double),1,fp); - fread(&cut_lj[i][j],sizeof(double),1,fp); - fread(&cut_coul[i][j],sizeof(double),1,fp); + utils::sfread(FLERR,&epsilon[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&sigma[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&cut_lj[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&cut_coul[i][j],sizeof(double),1,fp,NULL,error); } MPI_Bcast(&epsilon[i][j],1,MPI_DOUBLE,0,world); MPI_Bcast(&sigma[i][j],1,MPI_DOUBLE,0,world); @@ -399,11 +400,11 @@ void PairLJClass2CoulCut::write_restart_settings(FILE *fp) void PairLJClass2CoulCut::read_restart_settings(FILE *fp) { if (comm->me == 0) { - fread(&cut_lj_global,sizeof(double),1,fp); - fread(&cut_coul_global,sizeof(double),1,fp); - fread(&offset_flag,sizeof(int),1,fp); - fread(&mix_flag,sizeof(int),1,fp); - fread(&tail_flag,sizeof(int),1,fp); + utils::sfread(FLERR,&cut_lj_global,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&cut_coul_global,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&offset_flag,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&mix_flag,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&tail_flag,sizeof(int),1,fp,NULL,error); } MPI_Bcast(&cut_lj_global,1,MPI_DOUBLE,0,world); MPI_Bcast(&cut_coul_global,1,MPI_DOUBLE,0,world); diff --git a/src/CLASS2/pair_lj_class2_coul_long.cpp b/src/CLASS2/pair_lj_class2_coul_long.cpp index b56c076996..5487878f27 100644 --- a/src/CLASS2/pair_lj_class2_coul_long.cpp +++ b/src/CLASS2/pair_lj_class2_coul_long.cpp @@ -27,6 +27,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" +#include "utils.h" using namespace LAMMPS_NS; using namespace MathConst; @@ -805,13 +806,13 @@ void PairLJClass2CoulLong::read_restart(FILE *fp) int me = comm->me; for (i = 1; i <= atom->ntypes; i++) for (j = i; j <= atom->ntypes; j++) { - if (me == 0) fread(&setflag[i][j],sizeof(int),1,fp); + if (me == 0) utils::sfread(FLERR,&setflag[i][j],sizeof(int),1,fp,NULL,error); MPI_Bcast(&setflag[i][j],1,MPI_INT,0,world); if (setflag[i][j]) { if (me == 0) { - fread(&epsilon[i][j],sizeof(double),1,fp); - fread(&sigma[i][j],sizeof(double),1,fp); - fread(&cut_lj[i][j],sizeof(double),1,fp); + utils::sfread(FLERR,&epsilon[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&sigma[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&cut_lj[i][j],sizeof(double),1,fp,NULL,error); } MPI_Bcast(&epsilon[i][j],1,MPI_DOUBLE,0,world); MPI_Bcast(&sigma[i][j],1,MPI_DOUBLE,0,world); @@ -842,13 +843,13 @@ void PairLJClass2CoulLong::write_restart_settings(FILE *fp) void PairLJClass2CoulLong::read_restart_settings(FILE *fp) { if (comm->me == 0) { - fread(&cut_lj_global,sizeof(double),1,fp); - fread(&cut_coul,sizeof(double),1,fp); - fread(&offset_flag,sizeof(int),1,fp); - fread(&mix_flag,sizeof(int),1,fp); - fread(&tail_flag,sizeof(int),1,fp); - fread(&ncoultablebits,sizeof(int),1,fp); - fread(&tabinner,sizeof(double),1,fp); + utils::sfread(FLERR,&cut_lj_global,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&cut_coul,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&offset_flag,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&mix_flag,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&tail_flag,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&ncoultablebits,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&tabinner,sizeof(double),1,fp,NULL,error); } MPI_Bcast(&cut_lj_global,1,MPI_DOUBLE,0,world); MPI_Bcast(&cut_coul,1,MPI_DOUBLE,0,world); diff --git a/src/COLLOID/pair_brownian.cpp b/src/COLLOID/pair_brownian.cpp index 71a5f8c056..d73789d890 100644 --- a/src/COLLOID/pair_brownian.cpp +++ b/src/COLLOID/pair_brownian.cpp @@ -36,6 +36,7 @@ #include "math_special.h" #include "memory.h" #include "error.h" +#include "utils.h" using namespace LAMMPS_NS; using namespace MathConst; @@ -602,12 +603,12 @@ void PairBrownian::read_restart(FILE *fp) int me = comm->me; for (i = 1; i <= atom->ntypes; i++) for (j = i; j <= atom->ntypes; j++) { - if (me == 0) fread(&setflag[i][j],sizeof(int),1,fp); + if (me == 0) utils::sfread(FLERR,&setflag[i][j],sizeof(int),1,fp,NULL,error); MPI_Bcast(&setflag[i][j],1,MPI_INT,0,world); if (setflag[i][j]) { if (me == 0) { - fread(&cut_inner[i][j],sizeof(double),1,fp); - fread(&cut[i][j],sizeof(double),1,fp); + utils::sfread(FLERR,&cut_inner[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&cut[i][j],sizeof(double),1,fp,NULL,error); } MPI_Bcast(&cut_inner[i][j],1,MPI_DOUBLE,0,world); MPI_Bcast(&cut[i][j],1,MPI_DOUBLE,0,world); @@ -642,17 +643,17 @@ void PairBrownian::read_restart_settings(FILE *fp) { int me = comm->me; if (me == 0) { - fread(&mu,sizeof(double),1,fp); - fread(&flaglog,sizeof(int),1,fp); - fread(&flagfld,sizeof(int),1,fp); - fread(&cut_inner_global,sizeof(double),1,fp); - fread(&cut_global,sizeof(double),1,fp); - fread(&t_target, sizeof(double),1,fp); - fread(&seed, sizeof(int),1,fp); - fread(&offset_flag,sizeof(int),1,fp); - fread(&mix_flag,sizeof(int),1,fp); - fread(&flagHI,sizeof(int),1,fp); - fread(&flagVF,sizeof(int),1,fp); + utils::sfread(FLERR,&mu,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&flaglog,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&flagfld,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&cut_inner_global,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&cut_global,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&t_target, sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&seed, sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&offset_flag,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&mix_flag,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&flagHI,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&flagVF,sizeof(int),1,fp,NULL,error); } MPI_Bcast(&mu,1,MPI_DOUBLE,0,world); MPI_Bcast(&flaglog,1,MPI_INT,0,world); diff --git a/src/COLLOID/pair_colloid.cpp b/src/COLLOID/pair_colloid.cpp index ad25184181..d1c6e4594f 100644 --- a/src/COLLOID/pair_colloid.cpp +++ b/src/COLLOID/pair_colloid.cpp @@ -25,6 +25,7 @@ #include "math_special.h" #include "memory.h" #include "error.h" +#include "utils.h" using namespace LAMMPS_NS; using namespace MathSpecial; @@ -394,15 +395,15 @@ void PairColloid::read_restart(FILE *fp) for (i = 1; i <= atom->ntypes; i++) for (j = i; j <= atom->ntypes; j++) { - if (comm->me == 0) fread(&setflag[i][j],sizeof(int),1,fp); + if (comm->me == 0) utils::sfread(FLERR,&setflag[i][j],sizeof(int),1,fp,NULL,error); MPI_Bcast(&setflag[i][j],1,MPI_INT,0,world); if (setflag[i][j]) { if (comm->me == 0) { - fread(&a12[i][j],sizeof(double),1,fp); - fread(&sigma[i][j],sizeof(double),1,fp); - fread(&d1[i][j],sizeof(double),1,fp); - fread(&d2[i][j],sizeof(double),1,fp); - fread(&cut[i][j],sizeof(double),1,fp); + utils::sfread(FLERR,&a12[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&sigma[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&d1[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&d2[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&cut[i][j],sizeof(double),1,fp,NULL,error); } MPI_Bcast(&a12[i][j],1,MPI_DOUBLE,0,world); MPI_Bcast(&sigma[i][j],1,MPI_DOUBLE,0,world); @@ -432,9 +433,9 @@ void PairColloid::read_restart_settings(FILE *fp) { int me = comm->me; if (me == 0) { - fread(&cut_global,sizeof(double),1,fp); - fread(&offset_flag,sizeof(int),1,fp); - fread(&mix_flag,sizeof(int),1,fp); + utils::sfread(FLERR,&cut_global,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&offset_flag,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&mix_flag,sizeof(int),1,fp,NULL,error); } MPI_Bcast(&cut_global,1,MPI_DOUBLE,0,world); MPI_Bcast(&offset_flag,1,MPI_INT,0,world); diff --git a/src/COLLOID/pair_lubricate.cpp b/src/COLLOID/pair_lubricate.cpp index b6288c34d2..a72eaef679 100644 --- a/src/COLLOID/pair_lubricate.cpp +++ b/src/COLLOID/pair_lubricate.cpp @@ -35,6 +35,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" +#include "utils.h" using namespace LAMMPS_NS; using namespace MathConst; @@ -682,12 +683,12 @@ void PairLubricate::read_restart(FILE *fp) int me = comm->me; for (i = 1; i <= atom->ntypes; i++) for (j = i; j <= atom->ntypes; j++) { - if (me == 0) fread(&setflag[i][j],sizeof(int),1,fp); + if (me == 0) utils::sfread(FLERR,&setflag[i][j],sizeof(int),1,fp,NULL,error); MPI_Bcast(&setflag[i][j],1,MPI_INT,0,world); if (setflag[i][j]) { if (me == 0) { - fread(&cut_inner[i][j],sizeof(double),1,fp); - fread(&cut[i][j],sizeof(double),1,fp); + utils::sfread(FLERR,&cut_inner[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&cut[i][j],sizeof(double),1,fp,NULL,error); } MPI_Bcast(&cut_inner[i][j],1,MPI_DOUBLE,0,world); MPI_Bcast(&cut[i][j],1,MPI_DOUBLE,0,world); @@ -720,15 +721,15 @@ void PairLubricate::read_restart_settings(FILE *fp) { int me = comm->me; if (me == 0) { - fread(&mu,sizeof(double),1,fp); - fread(&flaglog,sizeof(int),1,fp); - fread(&flagfld,sizeof(int),1,fp); - fread(&cut_inner_global,sizeof(double),1,fp); - fread(&cut_global,sizeof(double),1,fp); - fread(&offset_flag,sizeof(int),1,fp); - fread(&mix_flag,sizeof(int),1,fp); - fread(&flagHI,sizeof(int),1,fp); - fread(&flagVF,sizeof(int),1,fp); + utils::sfread(FLERR,&mu,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&flaglog,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&flagfld,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&cut_inner_global,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&cut_global,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&offset_flag,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&mix_flag,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&flagHI,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&flagVF,sizeof(int),1,fp,NULL,error); } MPI_Bcast(&mu,1,MPI_DOUBLE,0,world); MPI_Bcast(&flaglog,1,MPI_INT,0,world); diff --git a/src/COLLOID/pair_lubricateU.cpp b/src/COLLOID/pair_lubricateU.cpp index 4f7e3917e8..e8715cec36 100644 --- a/src/COLLOID/pair_lubricateU.cpp +++ b/src/COLLOID/pair_lubricateU.cpp @@ -34,6 +34,7 @@ #include "variable.h" #include "memory.h" #include "error.h" +#include "utils.h" using namespace LAMMPS_NS; using namespace MathConst; @@ -1908,12 +1909,12 @@ void PairLubricateU::read_restart(FILE *fp) int me = comm->me; for (i = 1; i <= atom->ntypes; i++) for (j = i; j <= atom->ntypes; j++) { - if (me == 0) fread(&setflag[i][j],sizeof(int),1,fp); + if (me == 0) utils::sfread(FLERR,&setflag[i][j],sizeof(int),1,fp,NULL,error); MPI_Bcast(&setflag[i][j],1,MPI_INT,0,world); if (setflag[i][j]) { if (me == 0) { - fread(&cut_inner[i][j],sizeof(double),1,fp); - fread(&cut[i][j],sizeof(double),1,fp); + utils::sfread(FLERR,&cut_inner[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&cut[i][j],sizeof(double),1,fp,NULL,error); } MPI_Bcast(&cut_inner[i][j],1,MPI_DOUBLE,0,world); MPI_Bcast(&cut[i][j],1,MPI_DOUBLE,0,world); @@ -1945,14 +1946,14 @@ void PairLubricateU::read_restart_settings(FILE *fp) { int me = comm->me; if (me == 0) { - fread(&mu,sizeof(double),1,fp); - fread(&flaglog,sizeof(int),1,fp); - fread(&cut_inner_global,sizeof(double),1,fp); - fread(&cut_global,sizeof(double),1,fp); - fread(&offset_flag,sizeof(int),1,fp); - fread(&mix_flag,sizeof(int),1,fp); - fread(&flagHI,sizeof(int),1,fp); - fread(&flagVF,sizeof(int),1,fp); + utils::sfread(FLERR,&mu,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&flaglog,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&cut_inner_global,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&cut_global,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&offset_flag,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&mix_flag,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&flagHI,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&flagVF,sizeof(int),1,fp,NULL,error); } MPI_Bcast(&mu,1,MPI_DOUBLE,0,world); MPI_Bcast(&flaglog,1,MPI_INT,0,world); diff --git a/src/DIPOLE/pair_lj_cut_dipole_cut.cpp b/src/DIPOLE/pair_lj_cut_dipole_cut.cpp index 14c511c100..9f9e897357 100644 --- a/src/DIPOLE/pair_lj_cut_dipole_cut.cpp +++ b/src/DIPOLE/pair_lj_cut_dipole_cut.cpp @@ -23,6 +23,7 @@ #include "memory.h" #include "error.h" #include "update.h" +#include "utils.h" using namespace LAMMPS_NS; @@ -437,14 +438,14 @@ void PairLJCutDipoleCut::read_restart(FILE *fp) int me = comm->me; for (i = 1; i <= atom->ntypes; i++) for (j = i; j <= atom->ntypes; j++) { - if (me == 0) fread(&setflag[i][j],sizeof(int),1,fp); + if (me == 0) utils::sfread(FLERR,&setflag[i][j],sizeof(int),1,fp,NULL,error); MPI_Bcast(&setflag[i][j],1,MPI_INT,0,world); if (setflag[i][j]) { if (me == 0) { - fread(&epsilon[i][j],sizeof(double),1,fp); - fread(&sigma[i][j],sizeof(double),1,fp); - fread(&cut_lj[i][j],sizeof(double),1,fp); - fread(&cut_coul[i][j],sizeof(double),1,fp); + utils::sfread(FLERR,&epsilon[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&sigma[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&cut_lj[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&cut_coul[i][j],sizeof(double),1,fp,NULL,error); } MPI_Bcast(&epsilon[i][j],1,MPI_DOUBLE,0,world); MPI_Bcast(&sigma[i][j],1,MPI_DOUBLE,0,world); @@ -473,10 +474,10 @@ void PairLJCutDipoleCut::write_restart_settings(FILE *fp) void PairLJCutDipoleCut::read_restart_settings(FILE *fp) { if (comm->me == 0) { - fread(&cut_lj_global,sizeof(double),1,fp); - fread(&cut_coul_global,sizeof(double),1,fp); - fread(&offset_flag,sizeof(int),1,fp); - fread(&mix_flag,sizeof(int),1,fp); + utils::sfread(FLERR,&cut_lj_global,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&cut_coul_global,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&offset_flag,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&mix_flag,sizeof(int),1,fp,NULL,error); } MPI_Bcast(&cut_lj_global,1,MPI_DOUBLE,0,world); MPI_Bcast(&cut_coul_global,1,MPI_DOUBLE,0,world); diff --git a/src/DIPOLE/pair_lj_cut_dipole_long.cpp b/src/DIPOLE/pair_lj_cut_dipole_long.cpp index fe020ed2e6..7fc03005b5 100644 --- a/src/DIPOLE/pair_lj_cut_dipole_long.cpp +++ b/src/DIPOLE/pair_lj_cut_dipole_long.cpp @@ -25,7 +25,7 @@ #include "memory.h" #include "error.h" #include "update.h" - +#include "utils.h" using namespace LAMMPS_NS; using namespace MathConst; @@ -490,13 +490,13 @@ void PairLJCutDipoleLong::read_restart(FILE *fp) int me = comm->me; for (i = 1; i <= atom->ntypes; i++) for (j = i; j <= atom->ntypes; j++) { - if (me == 0) fread(&setflag[i][j],sizeof(int),1,fp); + if (me == 0) utils::sfread(FLERR,&setflag[i][j],sizeof(int),1,fp,NULL,error); MPI_Bcast(&setflag[i][j],1,MPI_INT,0,world); if (setflag[i][j]) { if (me == 0) { - fread(&epsilon[i][j],sizeof(double),1,fp); - fread(&sigma[i][j],sizeof(double),1,fp); - fread(&cut_lj[i][j],sizeof(double),1,fp); + utils::sfread(FLERR,&epsilon[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&sigma[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&cut_lj[i][j],sizeof(double),1,fp,NULL,error); } MPI_Bcast(&epsilon[i][j],1,MPI_DOUBLE,0,world); MPI_Bcast(&sigma[i][j],1,MPI_DOUBLE,0,world); @@ -524,10 +524,10 @@ void PairLJCutDipoleLong::write_restart_settings(FILE *fp) void PairLJCutDipoleLong::read_restart_settings(FILE *fp) { if (comm->me == 0) { - fread(&cut_lj_global,sizeof(double),1,fp); - fread(&cut_coul,sizeof(double),1,fp); - fread(&offset_flag,sizeof(int),1,fp); - fread(&mix_flag,sizeof(int),1,fp); + utils::sfread(FLERR,&cut_lj_global,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&cut_coul,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&offset_flag,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&mix_flag,sizeof(int),1,fp,NULL,error); } MPI_Bcast(&cut_lj_global,1,MPI_DOUBLE,0,world); MPI_Bcast(&cut_coul,1,MPI_DOUBLE,0,world); diff --git a/src/DIPOLE/pair_lj_long_dipole_long.cpp b/src/DIPOLE/pair_lj_long_dipole_long.cpp index 5e7819c2f4..d120eed76f 100644 --- a/src/DIPOLE/pair_lj_long_dipole_long.cpp +++ b/src/DIPOLE/pair_lj_long_dipole_long.cpp @@ -30,6 +30,7 @@ #include "update.h" #include "memory.h" #include "error.h" +#include "utils.h" using namespace LAMMPS_NS; using namespace MathConst; @@ -344,13 +345,13 @@ void PairLJLongDipoleLong::read_restart(FILE *fp) int me = comm->me; for (i = 1; i <= atom->ntypes; i++) for (j = i; j <= atom->ntypes; j++) { - if (me == 0) fread(&setflag[i][j],sizeof(int),1,fp); + if (me == 0) utils::sfread(FLERR,&setflag[i][j],sizeof(int),1,fp,NULL,error); MPI_Bcast(&setflag[i][j],1,MPI_INT,0,world); if (setflag[i][j]) { if (me == 0) { - fread(&epsilon_read[i][j],sizeof(double),1,fp); - fread(&sigma_read[i][j],sizeof(double),1,fp); - fread(&cut_lj_read[i][j],sizeof(double),1,fp); + utils::sfread(FLERR,&epsilon_read[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&sigma_read[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&cut_lj_read[i][j],sizeof(double),1,fp,NULL,error); } MPI_Bcast(&epsilon_read[i][j],1,MPI_DOUBLE,0,world); MPI_Bcast(&sigma_read[i][j],1,MPI_DOUBLE,0,world); @@ -379,11 +380,11 @@ void PairLJLongDipoleLong::write_restart_settings(FILE *fp) void PairLJLongDipoleLong::read_restart_settings(FILE *fp) { if (comm->me == 0) { - fread(&cut_lj_global,sizeof(double),1,fp); - fread(&cut_coul,sizeof(double),1,fp); - fread(&offset_flag,sizeof(int),1,fp); - fread(&mix_flag,sizeof(int),1,fp); - fread(&ewald_order,sizeof(int),1,fp); + utils::sfread(FLERR,&cut_lj_global,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&cut_coul,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&offset_flag,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&mix_flag,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&ewald_order,sizeof(int),1,fp,NULL,error); } MPI_Bcast(&cut_lj_global,1,MPI_DOUBLE,0,world); MPI_Bcast(&cut_coul,1,MPI_DOUBLE,0,world); diff --git a/src/GRANULAR/pair_gran_hooke_history.cpp b/src/GRANULAR/pair_gran_hooke_history.cpp index 771a5566df..de205dce91 100644 --- a/src/GRANULAR/pair_gran_hooke_history.cpp +++ b/src/GRANULAR/pair_gran_hooke_history.cpp @@ -31,6 +31,7 @@ #include "neigh_request.h" #include "memory.h" #include "error.h" +#include "utils.h" using namespace LAMMPS_NS; @@ -540,7 +541,7 @@ void PairGranHookeHistory::read_restart(FILE *fp) int me = comm->me; for (i = 1; i <= atom->ntypes; i++) for (j = i; j <= atom->ntypes; j++) { - if (me == 0) fread(&setflag[i][j],sizeof(int),1,fp); + if (me == 0) utils::sfread(FLERR,&setflag[i][j],sizeof(int),1,fp,NULL,error); MPI_Bcast(&setflag[i][j],1,MPI_INT,0,world); } } @@ -566,12 +567,12 @@ void PairGranHookeHistory::write_restart_settings(FILE *fp) void PairGranHookeHistory::read_restart_settings(FILE *fp) { if (comm->me == 0) { - fread(&kn,sizeof(double),1,fp); - fread(&kt,sizeof(double),1,fp); - fread(&gamman,sizeof(double),1,fp); - fread(&gammat,sizeof(double),1,fp); - fread(&xmu,sizeof(double),1,fp); - fread(&dampflag,sizeof(int),1,fp); + utils::sfread(FLERR,&kn,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&kt,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&gamman,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&gammat,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&xmu,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&dampflag,sizeof(int),1,fp,NULL,error); } MPI_Bcast(&kn,1,MPI_DOUBLE,0,world); MPI_Bcast(&kt,1,MPI_DOUBLE,0,world); diff --git a/src/GRANULAR/pair_granular.cpp b/src/GRANULAR/pair_granular.cpp index 54f6b77d2f..0b506060d6 100644 --- a/src/GRANULAR/pair_granular.cpp +++ b/src/GRANULAR/pair_granular.cpp @@ -34,6 +34,7 @@ See the README file in the top-level LAMMPS directory. #include "error.h" #include "math_const.h" #include "math_special.h" +#include "utils.h" using namespace LAMMPS_NS; using namespace MathConst; @@ -1251,20 +1252,20 @@ void PairGranular::read_restart(FILE *fp) int me = comm->me; for (i = 1; i <= atom->ntypes; i++) { for (j = i; j <= atom->ntypes; j++) { - if (me == 0) fread(&setflag[i][j],sizeof(int),1,fp); + if (me == 0) utils::sfread(FLERR,&setflag[i][j],sizeof(int),1,fp,NULL,error); MPI_Bcast(&setflag[i][j],1,MPI_INT,0,world); if (setflag[i][j]) { if (me == 0) { - fread(&normal_model[i][j],sizeof(int),1,fp); - fread(&damping_model[i][j],sizeof(int),1,fp); - fread(&tangential_model[i][j],sizeof(int),1,fp); - fread(&roll_model[i][j],sizeof(int),1,fp); - fread(&twist_model[i][j],sizeof(int),1,fp); - fread(normal_coeffs[i][j],sizeof(double),4,fp); - fread(tangential_coeffs[i][j],sizeof(double),3,fp); - fread(roll_coeffs[i][j],sizeof(double),3,fp); - fread(twist_coeffs[i][j],sizeof(double),3,fp); - fread(&cutoff_type[i][j],sizeof(double),1,fp); + utils::sfread(FLERR,&normal_model[i][j],sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&damping_model[i][j],sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&tangential_model[i][j],sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&roll_model[i][j],sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&twist_model[i][j],sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,normal_coeffs[i][j],sizeof(double),4,fp,NULL,error); + utils::sfread(FLERR,tangential_coeffs[i][j],sizeof(double),3,fp,NULL,error); + utils::sfread(FLERR,roll_coeffs[i][j],sizeof(double),3,fp,NULL,error); + utils::sfread(FLERR,twist_coeffs[i][j],sizeof(double),3,fp,NULL,error); + utils::sfread(FLERR,&cutoff_type[i][j],sizeof(double),1,fp,NULL,error); } MPI_Bcast(&normal_model[i][j],1,MPI_INT,0,world); MPI_Bcast(&damping_model[i][j],1,MPI_INT,0,world); diff --git a/src/KSPACE/fix_tune_kspace.cpp b/src/KSPACE/fix_tune_kspace.cpp index cfd88609b3..a3a4956214 100644 --- a/src/KSPACE/fix_tune_kspace.cpp +++ b/src/KSPACE/fix_tune_kspace.cpp @@ -29,6 +29,7 @@ #include "neighbor.h" #include "modify.h" #include "compute.h" + #define SWAP(a,b) {temp=(a);(a)=(b);(b)=temp;} #define SIGN(a,b) ((b) >= 0.0 ? fabs(a) : -fabs(a)) #define GOLD 1.618034 diff --git a/src/KSPACE/pair_born_coul_long.cpp b/src/KSPACE/pair_born_coul_long.cpp index e248a24ef7..b5b3eda64f 100644 --- a/src/KSPACE/pair_born_coul_long.cpp +++ b/src/KSPACE/pair_born_coul_long.cpp @@ -27,6 +27,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" +#include "utils.h" using namespace LAMMPS_NS; using namespace MathConst; @@ -421,16 +422,16 @@ void PairBornCoulLong::read_restart(FILE *fp) int me = comm->me; for (i = 1; i <= atom->ntypes; i++) for (j = i; j <= atom->ntypes; j++) { - if (me == 0) fread(&setflag[i][j],sizeof(int),1,fp); + if (me == 0) utils::sfread(FLERR,&setflag[i][j],sizeof(int),1,fp,NULL,error); MPI_Bcast(&setflag[i][j],1,MPI_INT,0,world); if (setflag[i][j]) { if (me == 0) { - fread(&a[i][j],sizeof(double),1,fp); - fread(&rho[i][j],sizeof(double),1,fp); - fread(&sigma[i][j],sizeof(double),1,fp); - fread(&c[i][j],sizeof(double),1,fp); - fread(&d[i][j],sizeof(double),1,fp); - fread(&cut_lj[i][j],sizeof(double),1,fp); + utils::sfread(FLERR,&a[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&rho[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&sigma[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&c[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&d[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&cut_lj[i][j],sizeof(double),1,fp,NULL,error); } MPI_Bcast(&a[i][j],1,MPI_DOUBLE,0,world); MPI_Bcast(&rho[i][j],1,MPI_DOUBLE,0,world); @@ -464,13 +465,13 @@ void PairBornCoulLong::write_restart_settings(FILE *fp) void PairBornCoulLong::read_restart_settings(FILE *fp) { if (comm->me == 0) { - fread(&cut_lj_global,sizeof(double),1,fp); - fread(&cut_coul,sizeof(double),1,fp); - fread(&offset_flag,sizeof(int),1,fp); - fread(&mix_flag,sizeof(int),1,fp); - fread(&tail_flag,sizeof(int),1,fp); - fread(&ncoultablebits,sizeof(int),1,fp); - fread(&tabinner,sizeof(double),1,fp); + utils::sfread(FLERR,&cut_lj_global,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&cut_coul,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&offset_flag,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&mix_flag,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&tail_flag,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&ncoultablebits,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&tabinner,sizeof(double),1,fp,NULL,error); } MPI_Bcast(&cut_lj_global,1,MPI_DOUBLE,0,world); MPI_Bcast(&cut_coul,1,MPI_DOUBLE,0,world); diff --git a/src/KSPACE/pair_buck_coul_long.cpp b/src/KSPACE/pair_buck_coul_long.cpp index c97856fa3c..a46424baf7 100644 --- a/src/KSPACE/pair_buck_coul_long.cpp +++ b/src/KSPACE/pair_buck_coul_long.cpp @@ -24,6 +24,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" +#include "utils.h" using namespace LAMMPS_NS; using namespace MathConst; @@ -399,14 +400,14 @@ void PairBuckCoulLong::read_restart(FILE *fp) int me = comm->me; for (i = 1; i <= atom->ntypes; i++) for (j = i; j <= atom->ntypes; j++) { - if (me == 0) fread(&setflag[i][j],sizeof(int),1,fp); + if (me == 0) utils::sfread(FLERR,&setflag[i][j],sizeof(int),1,fp,NULL,error); MPI_Bcast(&setflag[i][j],1,MPI_INT,0,world); if (setflag[i][j]) { if (me == 0) { - fread(&a[i][j],sizeof(double),1,fp); - fread(&rho[i][j],sizeof(double),1,fp); - fread(&c[i][j],sizeof(double),1,fp); - fread(&cut_lj[i][j],sizeof(double),1,fp); + utils::sfread(FLERR,&a[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&rho[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&c[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&cut_lj[i][j],sizeof(double),1,fp,NULL,error); } MPI_Bcast(&a[i][j],1,MPI_DOUBLE,0,world); MPI_Bcast(&rho[i][j],1,MPI_DOUBLE,0,world); @@ -438,13 +439,13 @@ void PairBuckCoulLong::write_restart_settings(FILE *fp) void PairBuckCoulLong::read_restart_settings(FILE *fp) { if (comm->me == 0) { - fread(&cut_lj_global,sizeof(double),1,fp); - fread(&cut_coul,sizeof(double),1,fp); - fread(&offset_flag,sizeof(int),1,fp); - fread(&mix_flag,sizeof(int),1,fp); - fread(&tail_flag,sizeof(int),1,fp); - fread(&ncoultablebits,sizeof(int),1,fp); - fread(&tabinner,sizeof(double),1,fp); + utils::sfread(FLERR,&cut_lj_global,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&cut_coul,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&offset_flag,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&mix_flag,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&tail_flag,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&ncoultablebits,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&tabinner,sizeof(double),1,fp,NULL,error); } MPI_Bcast(&cut_lj_global,1,MPI_DOUBLE,0,world); MPI_Bcast(&cut_coul,1,MPI_DOUBLE,0,world); diff --git a/src/KSPACE/pair_buck_long_coul_long.cpp b/src/KSPACE/pair_buck_long_coul_long.cpp index 8127cbc127..346643ae0a 100644 --- a/src/KSPACE/pair_buck_long_coul_long.cpp +++ b/src/KSPACE/pair_buck_long_coul_long.cpp @@ -31,6 +31,7 @@ #include "respa.h" #include "memory.h" #include "error.h" +#include "utils.h" using namespace LAMMPS_NS; @@ -355,14 +356,14 @@ void PairBuckLongCoulLong::read_restart(FILE *fp) int me = comm->me; for (i = 1; i <= atom->ntypes; i++) for (j = i; j <= atom->ntypes; j++) { - if (me == 0) fread(&setflag[i][j],sizeof(int),1,fp); + if (me == 0) utils::sfread(FLERR,&setflag[i][j],sizeof(int),1,fp,NULL,error); MPI_Bcast(&setflag[i][j],1,MPI_INT,0,world); if (setflag[i][j]) { if (me == 0) { - fread(&buck_a_read[i][j],sizeof(double),1,fp); - fread(&buck_rho_read[i][j],sizeof(double),1,fp); - fread(&buck_c_read[i][j],sizeof(double),1,fp); - fread(&cut_buck_read[i][j],sizeof(double),1,fp); + utils::sfread(FLERR,&buck_a_read[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&buck_rho_read[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&buck_c_read[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&cut_buck_read[i][j],sizeof(double),1,fp,NULL,error); } MPI_Bcast(&buck_a_read[i][j],1,MPI_DOUBLE,0,world); MPI_Bcast(&buck_rho_read[i][j],1,MPI_DOUBLE,0,world); @@ -394,13 +395,13 @@ void PairBuckLongCoulLong::write_restart_settings(FILE *fp) void PairBuckLongCoulLong::read_restart_settings(FILE *fp) { if (comm->me == 0) { - fread(&cut_buck_global,sizeof(double),1,fp); - fread(&cut_coul,sizeof(double),1,fp); - fread(&offset_flag,sizeof(int),1,fp); - fread(&mix_flag,sizeof(int),1,fp); - fread(&ncoultablebits,sizeof(int),1,fp); - fread(&tabinner,sizeof(double),1,fp); - fread(&ewald_order,sizeof(int),1,fp); + utils::sfread(FLERR,&cut_buck_global,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&cut_coul,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&offset_flag,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&mix_flag,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&ncoultablebits,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&tabinner,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&ewald_order,sizeof(int),1,fp,NULL,error); } MPI_Bcast(&cut_buck_global,1,MPI_DOUBLE,0,world); MPI_Bcast(&cut_coul,1,MPI_DOUBLE,0,world); diff --git a/src/KSPACE/pair_coul_long.cpp b/src/KSPACE/pair_coul_long.cpp index 7cedf3d003..004835007d 100644 --- a/src/KSPACE/pair_coul_long.cpp +++ b/src/KSPACE/pair_coul_long.cpp @@ -27,6 +27,7 @@ #include "neigh_list.h" #include "memory.h" #include "error.h" +#include "utils.h" using namespace LAMMPS_NS; @@ -289,10 +290,10 @@ void PairCoulLong::read_restart(FILE *fp) int me = comm->me; for (i = 1; i <= atom->ntypes; i++) for (j = i; j <= atom->ntypes; j++) { - if (me == 0) fread(&setflag[i][j],sizeof(int),1,fp); + if (me == 0) utils::sfread(FLERR,&setflag[i][j],sizeof(int),1,fp,NULL,error); MPI_Bcast(&setflag[i][j],1,MPI_INT,0,world); if (setflag[i][j]) { - if (me == 0) fread(&scale[i][j],sizeof(double),1,fp); + if (me == 0) utils::sfread(FLERR,&scale[i][j],sizeof(double),1,fp,NULL,error); MPI_Bcast(&scale[i][j],1,MPI_DOUBLE,0,world); } } @@ -318,11 +319,11 @@ void PairCoulLong::write_restart_settings(FILE *fp) void PairCoulLong::read_restart_settings(FILE *fp) { if (comm->me == 0) { - fread(&cut_coul,sizeof(double),1,fp); - fread(&offset_flag,sizeof(int),1,fp); - fread(&mix_flag,sizeof(int),1,fp); - fread(&ncoultablebits,sizeof(int),1,fp); - fread(&tabinner,sizeof(double),1,fp); + utils::sfread(FLERR,&cut_coul,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&offset_flag,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&mix_flag,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&ncoultablebits,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&tabinner,sizeof(double),1,fp,NULL,error); } MPI_Bcast(&cut_coul,1,MPI_DOUBLE,0,world); MPI_Bcast(&offset_flag,1,MPI_INT,0,world); diff --git a/src/KSPACE/pair_lj_charmm_coul_long.cpp b/src/KSPACE/pair_lj_charmm_coul_long.cpp index 751ee77388..22ed923b49 100644 --- a/src/KSPACE/pair_lj_charmm_coul_long.cpp +++ b/src/KSPACE/pair_lj_charmm_coul_long.cpp @@ -29,6 +29,7 @@ #include "neigh_request.h" #include "memory.h" #include "error.h" +#include "utils.h" using namespace LAMMPS_NS; @@ -822,14 +823,14 @@ void PairLJCharmmCoulLong::read_restart(FILE *fp) int me = comm->me; for (i = 1; i <= atom->ntypes; i++) for (j = i; j <= atom->ntypes; j++) { - if (me == 0) fread(&setflag[i][j],sizeof(int),1,fp); + if (me == 0) utils::sfread(FLERR,&setflag[i][j],sizeof(int),1,fp,NULL,error); MPI_Bcast(&setflag[i][j],1,MPI_INT,0,world); if (setflag[i][j]) { if (me == 0) { - fread(&epsilon[i][j],sizeof(double),1,fp); - fread(&sigma[i][j],sizeof(double),1,fp); - fread(&eps14[i][j],sizeof(double),1,fp); - fread(&sigma14[i][j],sizeof(double),1,fp); + utils::sfread(FLERR,&epsilon[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&sigma[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&eps14[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&sigma14[i][j],sizeof(double),1,fp,NULL,error); } MPI_Bcast(&epsilon[i][j],1,MPI_DOUBLE,0,world); MPI_Bcast(&sigma[i][j],1,MPI_DOUBLE,0,world); @@ -861,13 +862,13 @@ void PairLJCharmmCoulLong::write_restart_settings(FILE *fp) void PairLJCharmmCoulLong::read_restart_settings(FILE *fp) { if (comm->me == 0) { - fread(&cut_lj_inner,sizeof(double),1,fp); - fread(&cut_lj,sizeof(double),1,fp); - fread(&cut_coul,sizeof(double),1,fp); - fread(&offset_flag,sizeof(int),1,fp); - fread(&mix_flag,sizeof(int),1,fp); - fread(&ncoultablebits,sizeof(int),1,fp); - fread(&tabinner,sizeof(double),1,fp); + utils::sfread(FLERR,&cut_lj_inner,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&cut_lj,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&cut_coul,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&offset_flag,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&mix_flag,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&ncoultablebits,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&tabinner,sizeof(double),1,fp,NULL,error); } MPI_Bcast(&cut_lj_inner,1,MPI_DOUBLE,0,world); MPI_Bcast(&cut_lj,1,MPI_DOUBLE,0,world); diff --git a/src/KSPACE/pair_lj_charmmfsw_coul_long.cpp b/src/KSPACE/pair_lj_charmmfsw_coul_long.cpp index 494a349768..ce7fda5f18 100644 --- a/src/KSPACE/pair_lj_charmmfsw_coul_long.cpp +++ b/src/KSPACE/pair_lj_charmmfsw_coul_long.cpp @@ -33,6 +33,7 @@ #include "neigh_request.h" #include "memory.h" #include "error.h" +#include "utils.h" using namespace LAMMPS_NS; @@ -889,14 +890,14 @@ void PairLJCharmmfswCoulLong::read_restart(FILE *fp) int me = comm->me; for (i = 1; i <= atom->ntypes; i++) for (j = i; j <= atom->ntypes; j++) { - if (me == 0) fread(&setflag[i][j],sizeof(int),1,fp); + if (me == 0) utils::sfread(FLERR,&setflag[i][j],sizeof(int),1,fp,NULL,error); MPI_Bcast(&setflag[i][j],1,MPI_INT,0,world); if (setflag[i][j]) { if (me == 0) { - fread(&epsilon[i][j],sizeof(double),1,fp); - fread(&sigma[i][j],sizeof(double),1,fp); - fread(&eps14[i][j],sizeof(double),1,fp); - fread(&sigma14[i][j],sizeof(double),1,fp); + utils::sfread(FLERR,&epsilon[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&sigma[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&eps14[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&sigma14[i][j],sizeof(double),1,fp,NULL,error); } MPI_Bcast(&epsilon[i][j],1,MPI_DOUBLE,0,world); MPI_Bcast(&sigma[i][j],1,MPI_DOUBLE,0,world); @@ -928,13 +929,13 @@ void PairLJCharmmfswCoulLong::write_restart_settings(FILE *fp) void PairLJCharmmfswCoulLong::read_restart_settings(FILE *fp) { if (comm->me == 0) { - fread(&cut_lj_inner,sizeof(double),1,fp); - fread(&cut_lj,sizeof(double),1,fp); - fread(&cut_coul,sizeof(double),1,fp); - fread(&offset_flag,sizeof(int),1,fp); - fread(&mix_flag,sizeof(int),1,fp); - fread(&ncoultablebits,sizeof(int),1,fp); - fread(&tabinner,sizeof(double),1,fp); + utils::sfread(FLERR,&cut_lj_inner,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&cut_lj,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&cut_coul,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&offset_flag,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&mix_flag,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&ncoultablebits,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&tabinner,sizeof(double),1,fp,NULL,error); } MPI_Bcast(&cut_lj_inner,1,MPI_DOUBLE,0,world); MPI_Bcast(&cut_lj,1,MPI_DOUBLE,0,world); diff --git a/src/KSPACE/pair_lj_cut_coul_long.cpp b/src/KSPACE/pair_lj_cut_coul_long.cpp index fb79451b37..23e182435d 100644 --- a/src/KSPACE/pair_lj_cut_coul_long.cpp +++ b/src/KSPACE/pair_lj_cut_coul_long.cpp @@ -31,6 +31,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" +#include "utils.h" using namespace LAMMPS_NS; using namespace MathConst; @@ -793,13 +794,13 @@ void PairLJCutCoulLong::read_restart(FILE *fp) int me = comm->me; for (i = 1; i <= atom->ntypes; i++) for (j = i; j <= atom->ntypes; j++) { - if (me == 0) fread(&setflag[i][j],sizeof(int),1,fp); + if (me == 0) utils::sfread(FLERR,&setflag[i][j],sizeof(int),1,fp,NULL,error); MPI_Bcast(&setflag[i][j],1,MPI_INT,0,world); if (setflag[i][j]) { if (me == 0) { - fread(&epsilon[i][j],sizeof(double),1,fp); - fread(&sigma[i][j],sizeof(double),1,fp); - fread(&cut_lj[i][j],sizeof(double),1,fp); + utils::sfread(FLERR,&epsilon[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&sigma[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&cut_lj[i][j],sizeof(double),1,fp,NULL,error); } MPI_Bcast(&epsilon[i][j],1,MPI_DOUBLE,0,world); MPI_Bcast(&sigma[i][j],1,MPI_DOUBLE,0,world); @@ -830,13 +831,13 @@ void PairLJCutCoulLong::write_restart_settings(FILE *fp) void PairLJCutCoulLong::read_restart_settings(FILE *fp) { if (comm->me == 0) { - fread(&cut_lj_global,sizeof(double),1,fp); - fread(&cut_coul,sizeof(double),1,fp); - fread(&offset_flag,sizeof(int),1,fp); - fread(&mix_flag,sizeof(int),1,fp); - fread(&tail_flag,sizeof(int),1,fp); - fread(&ncoultablebits,sizeof(int),1,fp); - fread(&tabinner,sizeof(double),1,fp); + utils::sfread(FLERR,&cut_lj_global,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&cut_coul,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&offset_flag,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&mix_flag,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&tail_flag,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&ncoultablebits,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&tabinner,sizeof(double),1,fp,NULL,error); } MPI_Bcast(&cut_lj_global,1,MPI_DOUBLE,0,world); MPI_Bcast(&cut_coul,1,MPI_DOUBLE,0,world); diff --git a/src/KSPACE/pair_lj_cut_tip4p_long.cpp b/src/KSPACE/pair_lj_cut_tip4p_long.cpp index c98092f19b..a4f115568f 100644 --- a/src/KSPACE/pair_lj_cut_tip4p_long.cpp +++ b/src/KSPACE/pair_lj_cut_tip4p_long.cpp @@ -30,6 +30,7 @@ #include "neigh_list.h" #include "memory.h" #include "error.h" +#include "utils.h" using namespace LAMMPS_NS; @@ -528,19 +529,19 @@ void PairLJCutTIP4PLong::write_restart_settings(FILE *fp) void PairLJCutTIP4PLong::read_restart_settings(FILE *fp) { if (comm->me == 0) { - fread(&typeO,sizeof(int),1,fp); - fread(&typeH,sizeof(int),1,fp); - fread(&typeB,sizeof(int),1,fp); - fread(&typeA,sizeof(int),1,fp); - fread(&qdist,sizeof(double),1,fp); + utils::sfread(FLERR,&typeO,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&typeH,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&typeB,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&typeA,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&qdist,sizeof(double),1,fp,NULL,error); - fread(&cut_lj_global,sizeof(double),1,fp); - fread(&cut_coul,sizeof(double),1,fp); - fread(&offset_flag,sizeof(int),1,fp); - fread(&mix_flag,sizeof(int),1,fp); - fread(&tail_flag,sizeof(int),1,fp); - fread(&ncoultablebits,sizeof(int),1,fp); - fread(&tabinner,sizeof(double),1,fp); + utils::sfread(FLERR,&cut_lj_global,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&cut_coul,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&offset_flag,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&mix_flag,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&tail_flag,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&ncoultablebits,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&tabinner,sizeof(double),1,fp,NULL,error); } MPI_Bcast(&typeO,1,MPI_INT,0,world); diff --git a/src/KSPACE/pair_lj_long_coul_long.cpp b/src/KSPACE/pair_lj_long_coul_long.cpp index 610fc4e89b..f3d06f33d2 100644 --- a/src/KSPACE/pair_lj_long_coul_long.cpp +++ b/src/KSPACE/pair_lj_long_coul_long.cpp @@ -33,6 +33,7 @@ #include "respa.h" #include "memory.h" #include "error.h" +#include "utils.h" using namespace LAMMPS_NS; @@ -355,13 +356,13 @@ void PairLJLongCoulLong::read_restart(FILE *fp) int me = comm->me; for (i = 1; i <= atom->ntypes; i++) for (j = i; j <= atom->ntypes; j++) { - if (me == 0) fread(&setflag[i][j],sizeof(int),1,fp); + if (me == 0) utils::sfread(FLERR,&setflag[i][j],sizeof(int),1,fp,NULL,error); MPI_Bcast(&setflag[i][j],1,MPI_INT,0,world); if (setflag[i][j]) { if (me == 0) { - fread(&epsilon_read[i][j],sizeof(double),1,fp); - fread(&sigma_read[i][j],sizeof(double),1,fp); - fread(&cut_lj_read[i][j],sizeof(double),1,fp); + utils::sfread(FLERR,&epsilon_read[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&sigma_read[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&cut_lj_read[i][j],sizeof(double),1,fp,NULL,error); } MPI_Bcast(&epsilon_read[i][j],1,MPI_DOUBLE,0,world); MPI_Bcast(&sigma_read[i][j],1,MPI_DOUBLE,0,world); @@ -392,13 +393,13 @@ void PairLJLongCoulLong::write_restart_settings(FILE *fp) void PairLJLongCoulLong::read_restart_settings(FILE *fp) { if (comm->me == 0) { - fread(&cut_lj_global,sizeof(double),1,fp); - fread(&cut_coul,sizeof(double),1,fp); - fread(&offset_flag,sizeof(int),1,fp); - fread(&mix_flag,sizeof(int),1,fp); - fread(&ncoultablebits,sizeof(int),1,fp); - fread(&tabinner,sizeof(double),1,fp); - fread(&ewald_order,sizeof(int),1,fp); + utils::sfread(FLERR,&cut_lj_global,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&cut_coul,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&offset_flag,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&mix_flag,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&ncoultablebits,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&tabinner,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&ewald_order,sizeof(int),1,fp,NULL,error); } MPI_Bcast(&cut_lj_global,1,MPI_DOUBLE,0,world); MPI_Bcast(&cut_coul,1,MPI_DOUBLE,0,world); diff --git a/src/KSPACE/pair_lj_long_tip4p_long.cpp b/src/KSPACE/pair_lj_long_tip4p_long.cpp index 08409dce72..b46fb64898 100644 --- a/src/KSPACE/pair_lj_long_tip4p_long.cpp +++ b/src/KSPACE/pair_lj_long_tip4p_long.cpp @@ -30,6 +30,7 @@ #include "neigh_list.h" #include "memory.h" #include "error.h" +#include "utils.h" using namespace LAMMPS_NS; @@ -1539,18 +1540,18 @@ void PairLJLongTIP4PLong::write_restart_settings(FILE *fp) void PairLJLongTIP4PLong::read_restart_settings(FILE *fp) { if (comm->me == 0) { - fread(&typeO,sizeof(int),1,fp); - fread(&typeH,sizeof(int),1,fp); - fread(&typeB,sizeof(int),1,fp); - fread(&typeA,sizeof(int),1,fp); - fread(&qdist,sizeof(double),1,fp); + utils::sfread(FLERR,&typeO,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&typeH,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&typeB,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&typeA,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&qdist,sizeof(double),1,fp,NULL,error); - fread(&cut_lj_global,sizeof(double),1,fp); - fread(&cut_coul,sizeof(double),1,fp); - fread(&offset_flag,sizeof(int),1,fp); - fread(&mix_flag,sizeof(int),1,fp); - fread(&ncoultablebits,sizeof(int),1,fp); - fread(&tabinner,sizeof(double),1,fp); + utils::sfread(FLERR,&cut_lj_global,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&cut_coul,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&offset_flag,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&mix_flag,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&ncoultablebits,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&tabinner,sizeof(double),1,fp,NULL,error); } MPI_Bcast(&typeO,1,MPI_INT,0,world); diff --git a/src/KSPACE/pair_tip4p_long.cpp b/src/KSPACE/pair_tip4p_long.cpp index 2c47f42beb..c3ec44b7eb 100644 --- a/src/KSPACE/pair_tip4p_long.cpp +++ b/src/KSPACE/pair_tip4p_long.cpp @@ -30,6 +30,7 @@ #include "neigh_list.h" #include "memory.h" #include "error.h" +#include "utils.h" using namespace LAMMPS_NS; @@ -467,11 +468,11 @@ void PairTIP4PLong::read_restart_settings(FILE *fp) PairCoulLong::read_restart_settings(fp); if (comm->me == 0) { - fread(&typeO,sizeof(int),1,fp); - fread(&typeH,sizeof(int),1,fp); - fread(&typeB,sizeof(int),1,fp); - fread(&typeA,sizeof(int),1,fp); - fread(&qdist,sizeof(double),1,fp); + utils::sfread(FLERR,&typeO,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&typeH,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&typeB,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&typeA,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&qdist,sizeof(double),1,fp,NULL,error); } MPI_Bcast(&typeO,1,MPI_INT,0,world); diff --git a/src/pair_dpd_tstat.cpp b/src/pair_dpd_tstat.cpp index 96e910d830..8366ff459f 100644 --- a/src/pair_dpd_tstat.cpp +++ b/src/pair_dpd_tstat.cpp @@ -265,11 +265,11 @@ void PairDPDTstat::write_restart_settings(FILE *fp) void PairDPDTstat::read_restart_settings(FILE *fp) { if (comm->me == 0) { - fread(&t_start,sizeof(double),1,fp); - fread(&t_stop,sizeof(double),1,fp); - fread(&cut_global,sizeof(double),1,fp); - fread(&seed,sizeof(int),1,fp); - fread(&mix_flag,sizeof(int),1,fp); + utils::sfread(FLERR,&t_start,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&t_stop,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&cut_global,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&seed,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&mix_flag,sizeof(int),1,fp,NULL,error); } MPI_Bcast(&t_start,1,MPI_DOUBLE,0,world); MPI_Bcast(&t_stop,1,MPI_DOUBLE,0,world); diff --git a/src/pair_gauss.cpp b/src/pair_gauss.cpp index 7fd3233f4c..dcc3ac5f51 100644 --- a/src/pair_gauss.cpp +++ b/src/pair_gauss.cpp @@ -25,6 +25,7 @@ #include "neigh_list.h" #include "memory.h" #include "error.h" +#include "utils.h" using namespace LAMMPS_NS; @@ -279,13 +280,13 @@ void PairGauss::read_restart(FILE *fp) int me = comm->me; for (i = 1; i <= atom->ntypes; i++) for (j = i; j <= atom->ntypes; j++) { - if (me == 0) fread(&setflag[i][j],sizeof(int),1,fp); + if (me == 0) utils::sfread(FLERR,&setflag[i][j],sizeof(int),1,fp,NULL,error); MPI_Bcast(&setflag[i][j],1,MPI_INT,0,world); if (setflag[i][j]) { if (me == 0) { - fread(&a[i][j],sizeof(double),1,fp); - fread(&b[i][j],sizeof(double),1,fp); - fread(&cut[i][j],sizeof(double),1,fp); + utils::sfread(FLERR,&a[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&b[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&cut[i][j],sizeof(double),1,fp,NULL,error); } MPI_Bcast(&a[i][j],1,MPI_DOUBLE,0,world); MPI_Bcast(&b[i][j],1,MPI_DOUBLE,0,world); @@ -312,9 +313,9 @@ void PairGauss::write_restart_settings(FILE *fp) void PairGauss::read_restart_settings(FILE *fp) { if (comm->me == 0) { - fread(&cut_global,sizeof(double),1,fp); - fread(&offset_flag,sizeof(int),1,fp); - fread(&mix_flag,sizeof(int),1,fp); + utils::sfread(FLERR,&cut_global,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&offset_flag,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&mix_flag,sizeof(int),1,fp,NULL,error); } MPI_Bcast(&cut_global,1,MPI_DOUBLE,0,world); MPI_Bcast(&offset_flag,1,MPI_INT,0,world); diff --git a/src/pair_hybrid.cpp b/src/pair_hybrid.cpp index 3c619b6c95..b853ef1db1 100644 --- a/src/pair_hybrid.cpp +++ b/src/pair_hybrid.cpp @@ -26,6 +26,7 @@ #include "memory.h" #include "error.h" #include "respa.h" +#include "utils.h" using namespace LAMMPS_NS; @@ -681,7 +682,7 @@ void PairHybrid::write_restart(FILE *fp) void PairHybrid::read_restart(FILE *fp) { int me = comm->me; - if (me == 0) fread(&nstyles,sizeof(int),1,fp); + if (me == 0) utils::sfread(FLERR,&nstyles,sizeof(int),1,fp,NULL,error); MPI_Bcast(&nstyles,1,MPI_INT,0,world); // allocate list of sub-styles @@ -704,32 +705,32 @@ void PairHybrid::read_restart(FILE *fp) // each sub-style is created via new_pair() // each reads its settings, but no coeff info - if (me == 0) fread(compute_tally,sizeof(int),nstyles,fp); + if (me == 0) utils::sfread(FLERR,compute_tally,sizeof(int),nstyles,fp,NULL,error); MPI_Bcast(compute_tally,nstyles,MPI_INT,0,world); int n,dummy; for (int m = 0; m < nstyles; m++) { - if (me == 0) fread(&n,sizeof(int),1,fp); + if (me == 0) utils::sfread(FLERR,&n,sizeof(int),1,fp,NULL,error); MPI_Bcast(&n,1,MPI_INT,0,world); keywords[m] = new char[n]; - if (me == 0) fread(keywords[m],sizeof(char),n,fp); + if (me == 0) utils::sfread(FLERR,keywords[m],sizeof(char),n,fp,NULL,error); MPI_Bcast(keywords[m],n,MPI_CHAR,0,world); styles[m] = force->new_pair(keywords[m],0,dummy); styles[m]->read_restart_settings(fp); // read back per style special settings, if present special_lj[m] = special_coul[m] = NULL; - if (me == 0) fread(&n,sizeof(int),1,fp); + if (me == 0) utils::sfread(FLERR,&n,sizeof(int),1,fp,NULL,error); MPI_Bcast(&n,1,MPI_INT,0,world); if (n > 0 ) { special_lj[m] = new double[4]; - if (me == 0) fread(special_lj[m],sizeof(double),4,fp); + if (me == 0) utils::sfread(FLERR,special_lj[m],sizeof(double),4,fp,NULL,error); MPI_Bcast(special_lj[m],4,MPI_DOUBLE,0,world); } - if (me == 0) fread(&n,sizeof(int),1,fp); + if (me == 0) utils::sfread(FLERR,&n,sizeof(int),1,fp,NULL,error); MPI_Bcast(&n,1,MPI_INT,0,world); if (n > 0 ) { special_coul[m] = new double[4]; - if (me == 0) fread(special_coul[m],sizeof(double),4,fp); + if (me == 0) utils::sfread(FLERR,special_coul[m],sizeof(double),4,fp,NULL,error); MPI_Bcast(special_coul[m],4,MPI_DOUBLE,0,world); } } @@ -766,7 +767,6 @@ double PairHybrid::single(int i, int j, int itype, int jtype, double fone; fforce = 0.0; double esum = 0.0; - int n = 0; for (int m = 0; m < nmap[itype][jtype]; m++) { if (rsq < styles[map[itype][jtype][m]]->cutsq[itype][jtype]) { diff --git a/src/pair_lj96_cut.cpp b/src/pair_lj96_cut.cpp index c27038900d..d0e625fad4 100644 --- a/src/pair_lj96_cut.cpp +++ b/src/pair_lj96_cut.cpp @@ -30,6 +30,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" +#include "utils.h" using namespace LAMMPS_NS; using namespace MathConst; @@ -609,9 +610,9 @@ void PairLJ96Cut::read_restart(FILE *fp) MPI_Bcast(&setflag[i][j],1,MPI_INT,0,world); if (setflag[i][j]) { if (me == 0) { - fread(&epsilon[i][j],sizeof(double),1,fp); - fread(&sigma[i][j],sizeof(double),1,fp); - fread(&cut[i][j],sizeof(double),1,fp); + utils::sfread(FLERR,&epsilon[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&sigma[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&cut[i][j],sizeof(double),1,fp,NULL,error); } MPI_Bcast(&epsilon[i][j],1,MPI_DOUBLE,0,world); MPI_Bcast(&sigma[i][j],1,MPI_DOUBLE,0,world); @@ -640,10 +641,10 @@ void PairLJ96Cut::read_restart_settings(FILE *fp) { int me = comm->me; if (me == 0) { - fread(&cut_global,sizeof(double),1,fp); - fread(&offset_flag,sizeof(int),1,fp); - fread(&mix_flag,sizeof(int),1,fp); - fread(&tail_flag,sizeof(int),1,fp); + utils::sfread(FLERR,&cut_global,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&offset_flag,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&mix_flag,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&tail_flag,sizeof(int),1,fp,NULL,error); } MPI_Bcast(&cut_global,1,MPI_DOUBLE,0,world); MPI_Bcast(&offset_flag,1,MPI_INT,0,world); diff --git a/src/pair_lj_cubic.cpp b/src/pair_lj_cubic.cpp index 7990952494..98f221b689 100644 --- a/src/pair_lj_cubic.cpp +++ b/src/pair_lj_cubic.cpp @@ -25,6 +25,7 @@ #include "neigh_list.h" #include "memory.h" #include "error.h" +#include "utils.h" using namespace LAMMPS_NS; using namespace PairLJCubicConstants; @@ -276,14 +277,14 @@ void PairLJCubic::read_restart(FILE *fp) int me = comm->me; for (i = 1; i <= atom->ntypes; i++) for (j = i; j <= atom->ntypes; j++) { - if (me == 0) fread(&setflag[i][j],sizeof(int),1,fp); + if (me == 0) utils::sfread(FLERR,&setflag[i][j],sizeof(int),1,fp,NULL,error); MPI_Bcast(&setflag[i][j],1,MPI_INT,0,world); if (setflag[i][j]) { if (me == 0) { - fread(&epsilon[i][j],sizeof(double),1,fp); - fread(&sigma[i][j],sizeof(double),1,fp); - fread(&cut_inner[i][j],sizeof(double),1,fp); - fread(&cut[i][j],sizeof(double),1,fp); + utils::sfread(FLERR,&epsilon[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&sigma[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&cut_inner[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&cut[i][j],sizeof(double),1,fp,NULL,error); } MPI_Bcast(&epsilon[i][j],1,MPI_DOUBLE,0,world); MPI_Bcast(&sigma[i][j],1,MPI_DOUBLE,0,world); @@ -310,7 +311,7 @@ void PairLJCubic::read_restart_settings(FILE *fp) { int me = comm->me; if (me == 0) { - fread(&mix_flag,sizeof(int),1,fp); + utils::sfread(FLERR,&mix_flag,sizeof(int),1,fp,NULL,error); } MPI_Bcast(&mix_flag,1,MPI_INT,0,world); } diff --git a/src/pair_lj_cut.cpp b/src/pair_lj_cut.cpp index 0302858adb..8765ba4313 100644 --- a/src/pair_lj_cut.cpp +++ b/src/pair_lj_cut.cpp @@ -30,6 +30,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" +#include "utils.h" using namespace LAMMPS_NS; using namespace MathConst; @@ -599,13 +600,13 @@ void PairLJCut::read_restart(FILE *fp) int me = comm->me; for (i = 1; i <= atom->ntypes; i++) for (j = i; j <= atom->ntypes; j++) { - if (me == 0) fread(&setflag[i][j],sizeof(int),1,fp); + if (me == 0) utils::sfread(FLERR,&setflag[i][j],sizeof(int),1,fp,NULL,error); MPI_Bcast(&setflag[i][j],1,MPI_INT,0,world); if (setflag[i][j]) { if (me == 0) { - fread(&epsilon[i][j],sizeof(double),1,fp); - fread(&sigma[i][j],sizeof(double),1,fp); - fread(&cut[i][j],sizeof(double),1,fp); + utils::sfread(FLERR,&epsilon[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&sigma[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&cut[i][j],sizeof(double),1,fp,NULL,error); } MPI_Bcast(&epsilon[i][j],1,MPI_DOUBLE,0,world); MPI_Bcast(&sigma[i][j],1,MPI_DOUBLE,0,world); @@ -634,10 +635,10 @@ void PairLJCut::read_restart_settings(FILE *fp) { int me = comm->me; if (me == 0) { - fread(&cut_global,sizeof(double),1,fp); - fread(&offset_flag,sizeof(int),1,fp); - fread(&mix_flag,sizeof(int),1,fp); - fread(&tail_flag,sizeof(int),1,fp); + utils::sfread(FLERR,&cut_global,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&offset_flag,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&mix_flag,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&tail_flag,sizeof(int),1,fp,NULL,error); } MPI_Bcast(&cut_global,1,MPI_DOUBLE,0,world); MPI_Bcast(&offset_flag,1,MPI_INT,0,world); diff --git a/src/pair_lj_cut_coul_cut.cpp b/src/pair_lj_cut_coul_cut.cpp index d4640bee3a..621148dc9b 100644 --- a/src/pair_lj_cut_coul_cut.cpp +++ b/src/pair_lj_cut_coul_cut.cpp @@ -23,6 +23,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" +#include "utils.h" using namespace LAMMPS_NS; using namespace MathConst; @@ -352,14 +353,14 @@ void PairLJCutCoulCut::read_restart(FILE *fp) int me = comm->me; for (i = 1; i <= atom->ntypes; i++) for (j = i; j <= atom->ntypes; j++) { - if (me == 0) fread(&setflag[i][j],sizeof(int),1,fp); + if (me == 0) utils::sfread(FLERR,&setflag[i][j],sizeof(int),1,fp,NULL,error); MPI_Bcast(&setflag[i][j],1,MPI_INT,0,world); if (setflag[i][j]) { if (me == 0) { - fread(&epsilon[i][j],sizeof(double),1,fp); - fread(&sigma[i][j],sizeof(double),1,fp); - fread(&cut_lj[i][j],sizeof(double),1,fp); - fread(&cut_coul[i][j],sizeof(double),1,fp); + utils::sfread(FLERR,&epsilon[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&sigma[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&cut_lj[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&cut_coul[i][j],sizeof(double),1,fp,NULL,error); } MPI_Bcast(&epsilon[i][j],1,MPI_DOUBLE,0,world); MPI_Bcast(&sigma[i][j],1,MPI_DOUBLE,0,world); @@ -389,11 +390,11 @@ void PairLJCutCoulCut::write_restart_settings(FILE *fp) void PairLJCutCoulCut::read_restart_settings(FILE *fp) { if (comm->me == 0) { - fread(&cut_lj_global,sizeof(double),1,fp); - fread(&cut_coul_global,sizeof(double),1,fp); - fread(&offset_flag,sizeof(int),1,fp); - fread(&mix_flag,sizeof(int),1,fp); - fread(&tail_flag,sizeof(int),1,fp); + utils::sfread(FLERR,&cut_lj_global,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&cut_coul_global,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&offset_flag,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&mix_flag,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&tail_flag,sizeof(int),1,fp,NULL,error); } MPI_Bcast(&cut_lj_global,1,MPI_DOUBLE,0,world); MPI_Bcast(&cut_coul_global,1,MPI_DOUBLE,0,world); diff --git a/src/pair_lj_cut_coul_debye.cpp b/src/pair_lj_cut_coul_debye.cpp index 4ef533a743..a65d7aa50f 100644 --- a/src/pair_lj_cut_coul_debye.cpp +++ b/src/pair_lj_cut_coul_debye.cpp @@ -19,6 +19,7 @@ #include "force.h" #include "comm.h" #include "error.h" +#include "utils.h" using namespace LAMMPS_NS; @@ -170,11 +171,11 @@ void PairLJCutCoulDebye::write_restart_settings(FILE *fp) void PairLJCutCoulDebye::read_restart_settings(FILE *fp) { if (comm->me == 0) { - fread(&cut_lj_global,sizeof(double),1,fp); - fread(&cut_coul_global,sizeof(double),1,fp); - fread(&kappa,sizeof(double),1,fp); - fread(&offset_flag,sizeof(int),1,fp); - fread(&mix_flag,sizeof(int),1,fp); + utils::sfread(FLERR,&cut_lj_global,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&cut_coul_global,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&kappa,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&offset_flag,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&mix_flag,sizeof(int),1,fp,NULL,error); } MPI_Bcast(&cut_lj_global,1,MPI_DOUBLE,0,world); MPI_Bcast(&cut_coul_global,1,MPI_DOUBLE,0,world); diff --git a/src/pair_lj_cut_coul_dsf.cpp b/src/pair_lj_cut_coul_dsf.cpp index 778f9f2fb4..3b78b8ad1d 100644 --- a/src/pair_lj_cut_coul_dsf.cpp +++ b/src/pair_lj_cut_coul_dsf.cpp @@ -28,6 +28,7 @@ #include "memory.h" #include "math_const.h" #include "error.h" +#include "utils.h" using namespace LAMMPS_NS; using namespace MathConst; @@ -375,13 +376,13 @@ void PairLJCutCoulDSF::read_restart(FILE *fp) int me = comm->me; for (i = 1; i <= atom->ntypes; i++) for (j = i; j <= atom->ntypes; j++) { - if (me == 0) fread(&setflag[i][j],sizeof(int),1,fp); + if (me == 0) utils::sfread(FLERR,&setflag[i][j],sizeof(int),1,fp,NULL,error); MPI_Bcast(&setflag[i][j],1,MPI_INT,0,world); if (setflag[i][j]) { if (me == 0) { - fread(&epsilon[i][j],sizeof(double),1,fp); - fread(&sigma[i][j],sizeof(double),1,fp); - fread(&cut_lj[i][j],sizeof(double),1,fp); + utils::sfread(FLERR,&epsilon[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&sigma[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&cut_lj[i][j],sizeof(double),1,fp,NULL,error); } MPI_Bcast(&epsilon[i][j],1,MPI_DOUBLE,0,world); MPI_Bcast(&sigma[i][j],1,MPI_DOUBLE,0,world); @@ -411,12 +412,12 @@ void PairLJCutCoulDSF::write_restart_settings(FILE *fp) void PairLJCutCoulDSF::read_restart_settings(FILE *fp) { if (comm->me == 0) { - fread(&alpha,sizeof(double),1,fp); - fread(&cut_lj_global,sizeof(double),1,fp); - fread(&cut_coul,sizeof(double),1,fp); - fread(&offset_flag,sizeof(int),1,fp); - fread(&mix_flag,sizeof(int),1,fp); - fread(&tail_flag,sizeof(int),1,fp); + utils::sfread(FLERR,&alpha,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&cut_lj_global,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&cut_coul,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&offset_flag,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&mix_flag,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&tail_flag,sizeof(int),1,fp,NULL,error); } MPI_Bcast(&alpha,1,MPI_DOUBLE,0,world); MPI_Bcast(&cut_lj_global,1,MPI_DOUBLE,0,world); diff --git a/src/pair_lj_cut_coul_wolf.cpp b/src/pair_lj_cut_coul_wolf.cpp index 00a5832529..b4eaa070a7 100644 --- a/src/pair_lj_cut_coul_wolf.cpp +++ b/src/pair_lj_cut_coul_wolf.cpp @@ -26,6 +26,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" +#include "utils.h" using namespace LAMMPS_NS; using namespace MathConst; @@ -367,13 +368,13 @@ void PairLJCutCoulWolf::read_restart(FILE *fp) int me = comm->me; for (i = 1; i <= atom->ntypes; i++) for (j = i; j <= atom->ntypes; j++) { - if (me == 0) fread(&setflag[i][j],sizeof(int),1,fp); + if (me == 0) utils::sfread(FLERR,&setflag[i][j],sizeof(int),1,fp,NULL,error); MPI_Bcast(&setflag[i][j],1,MPI_INT,0,world); if (setflag[i][j]) { if (me == 0) { - fread(&epsilon[i][j],sizeof(double),1,fp); - fread(&sigma[i][j],sizeof(double),1,fp); - fread(&cut_lj[i][j],sizeof(double),1,fp); + utils::sfread(FLERR,&epsilon[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&sigma[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&cut_lj[i][j],sizeof(double),1,fp,NULL,error); } MPI_Bcast(&epsilon[i][j],1,MPI_DOUBLE,0,world); MPI_Bcast(&sigma[i][j],1,MPI_DOUBLE,0,world); @@ -404,12 +405,12 @@ void PairLJCutCoulWolf::read_restart_settings(FILE *fp) { int me = comm->me; if (me == 0) { - fread(&alf,sizeof(double),1,fp); - fread(&cut_lj_global,sizeof(double),1,fp); - fread(&cut_coul,sizeof(double),1,fp); - fread(&offset_flag,sizeof(int),1,fp); - fread(&mix_flag,sizeof(int),1,fp); - fread(&tail_flag,sizeof(int),1,fp); + utils::sfread(FLERR,&alf,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&cut_lj_global,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&cut_coul,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&offset_flag,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&mix_flag,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&tail_flag,sizeof(int),1,fp,NULL,error); } MPI_Bcast(&alf,1,MPI_DOUBLE,0,world); MPI_Bcast(&cut_lj_global,1,MPI_DOUBLE,0,world); diff --git a/src/pair_lj_expand.cpp b/src/pair_lj_expand.cpp index a5184bc2f5..16c8d586a2 100644 --- a/src/pair_lj_expand.cpp +++ b/src/pair_lj_expand.cpp @@ -22,6 +22,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" +#include "utils.h" using namespace LAMMPS_NS; using namespace MathConst; @@ -323,14 +324,14 @@ void PairLJExpand::read_restart(FILE *fp) int me = comm->me; for (i = 1; i <= atom->ntypes; i++) for (j = i; j <= atom->ntypes; j++) { - if (me == 0) fread(&setflag[i][j],sizeof(int),1,fp); + if (me == 0) utils::sfread(FLERR,&setflag[i][j],sizeof(int),1,fp,NULL,error); MPI_Bcast(&setflag[i][j],1,MPI_INT,0,world); if (setflag[i][j]) { if (me == 0) { - fread(&epsilon[i][j],sizeof(double),1,fp); - fread(&sigma[i][j],sizeof(double),1,fp); - fread(&shift[i][j],sizeof(double),1,fp); - fread(&cut[i][j],sizeof(double),1,fp); + utils::sfread(FLERR,&epsilon[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&sigma[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&shift[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&cut[i][j],sizeof(double),1,fp,NULL,error); } MPI_Bcast(&epsilon[i][j],1,MPI_DOUBLE,0,world); MPI_Bcast(&sigma[i][j],1,MPI_DOUBLE,0,world); @@ -359,10 +360,10 @@ void PairLJExpand::write_restart_settings(FILE *fp) void PairLJExpand::read_restart_settings(FILE *fp) { if (comm->me == 0) { - fread(&cut_global,sizeof(double),1,fp); - fread(&offset_flag,sizeof(int),1,fp); - fread(&mix_flag,sizeof(int),1,fp); - fread(&tail_flag,sizeof(int),1,fp); + utils::sfread(FLERR,&cut_global,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&offset_flag,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&mix_flag,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&tail_flag,sizeof(int),1,fp,NULL,error); } MPI_Bcast(&cut_global,1,MPI_DOUBLE,0,world); MPI_Bcast(&offset_flag,1,MPI_INT,0,world); diff --git a/src/pair_lj_gromacs.cpp b/src/pair_lj_gromacs.cpp index baef482ef9..73f4307d62 100644 --- a/src/pair_lj_gromacs.cpp +++ b/src/pair_lj_gromacs.cpp @@ -24,6 +24,7 @@ #include "neigh_list.h" #include "memory.h" #include "error.h" +#include "utils.h" using namespace LAMMPS_NS; @@ -338,14 +339,14 @@ void PairLJGromacs::read_restart(FILE *fp) int me = comm->me; for (i = 1; i <= atom->ntypes; i++) for (j = i; j <= atom->ntypes; j++) { - if (me == 0) fread(&setflag[i][j],sizeof(int),1,fp); + if (me == 0) utils::sfread(FLERR,&setflag[i][j],sizeof(int),1,fp,NULL,error); MPI_Bcast(&setflag[i][j],1,MPI_INT,0,world); if (setflag[i][j]) { if (me == 0) { - fread(&epsilon[i][j],sizeof(double),1,fp); - fread(&sigma[i][j],sizeof(double),1,fp); - fread(&cut_inner[i][j],sizeof(double),1,fp); - fread(&cut[i][j],sizeof(double),1,fp); + utils::sfread(FLERR,&epsilon[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&sigma[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&cut_inner[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&cut[i][j],sizeof(double),1,fp,NULL,error); } MPI_Bcast(&epsilon[i][j],1,MPI_DOUBLE,0,world); MPI_Bcast(&sigma[i][j],1,MPI_DOUBLE,0,world); @@ -375,10 +376,10 @@ void PairLJGromacs::read_restart_settings(FILE *fp) { int me = comm->me; if (me == 0) { - fread(&cut_inner_global,sizeof(double),1,fp); - fread(&cut_global,sizeof(double),1,fp); - fread(&offset_flag,sizeof(int),1,fp); - fread(&mix_flag,sizeof(int),1,fp); + utils::sfread(FLERR,&cut_inner_global,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&cut_global,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&offset_flag,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&mix_flag,sizeof(int),1,fp,NULL,error); } MPI_Bcast(&cut_inner_global,1,MPI_DOUBLE,0,world); MPI_Bcast(&cut_global,1,MPI_DOUBLE,0,world); diff --git a/src/pair_lj_gromacs_coul_gromacs.cpp b/src/pair_lj_gromacs_coul_gromacs.cpp index c62944b6a1..53b62bfdbd 100644 --- a/src/pair_lj_gromacs_coul_gromacs.cpp +++ b/src/pair_lj_gromacs_coul_gromacs.cpp @@ -25,6 +25,7 @@ #include "neigh_list.h" #include "memory.h" #include "error.h" +#include "utils.h" using namespace LAMMPS_NS; @@ -377,12 +378,12 @@ void PairLJGromacsCoulGromacs::read_restart(FILE *fp) int me = comm->me; for (i = 1; i <= atom->ntypes; i++) for (j = i; j <= atom->ntypes; j++) { - if (me == 0) fread(&setflag[i][j],sizeof(int),1,fp); + if (me == 0) utils::sfread(FLERR,&setflag[i][j],sizeof(int),1,fp,NULL,error); MPI_Bcast(&setflag[i][j],1,MPI_INT,0,world); if (setflag[i][j]) { if (me == 0) { - fread(&epsilon[i][j],sizeof(double),1,fp); - fread(&sigma[i][j],sizeof(double),1,fp); + utils::sfread(FLERR,&epsilon[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&sigma[i][j],sizeof(double),1,fp,NULL,error); } MPI_Bcast(&epsilon[i][j],1,MPI_DOUBLE,0,world); MPI_Bcast(&sigma[i][j],1,MPI_DOUBLE,0,world); @@ -411,12 +412,12 @@ void PairLJGromacsCoulGromacs::write_restart_settings(FILE *fp) void PairLJGromacsCoulGromacs::read_restart_settings(FILE *fp) { if (comm->me == 0) { - fread(&cut_lj_inner,sizeof(double),1,fp); - fread(&cut_lj,sizeof(double),1,fp); - fread(&cut_coul_inner,sizeof(double),1,fp); - fread(&cut_coul,sizeof(double),1,fp); - fread(&offset_flag,sizeof(int),1,fp); - fread(&mix_flag,sizeof(int),1,fp); + utils::sfread(FLERR,&cut_lj_inner,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&cut_lj,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&cut_coul_inner,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&cut_coul,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&offset_flag,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&mix_flag,sizeof(int),1,fp,NULL,error); } MPI_Bcast(&cut_lj_inner,1,MPI_DOUBLE,0,world); MPI_Bcast(&cut_lj,1,MPI_DOUBLE,0,world); diff --git a/src/pair_lj_smooth.cpp b/src/pair_lj_smooth.cpp index 7c7eb51b53..8c906dee46 100644 --- a/src/pair_lj_smooth.cpp +++ b/src/pair_lj_smooth.cpp @@ -24,6 +24,7 @@ #include "neigh_list.h" #include "memory.h" #include "error.h" +#include "utils.h" using namespace LAMMPS_NS; @@ -351,14 +352,14 @@ void PairLJSmooth::read_restart(FILE *fp) int me = comm->me; for (i = 1; i <= atom->ntypes; i++) for (j = i; j <= atom->ntypes; j++) { - if (me == 0) fread(&setflag[i][j],sizeof(int),1,fp); + if (me == 0) utils::sfread(FLERR,&setflag[i][j],sizeof(int),1,fp,NULL,error); MPI_Bcast(&setflag[i][j],1,MPI_INT,0,world); if (setflag[i][j]) { if (me == 0) { - fread(&epsilon[i][j],sizeof(double),1,fp); - fread(&sigma[i][j],sizeof(double),1,fp); - fread(&cut_inner[i][j],sizeof(double),1,fp); - fread(&cut[i][j],sizeof(double),1,fp); + utils::sfread(FLERR,&epsilon[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&sigma[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&cut_inner[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&cut[i][j],sizeof(double),1,fp,NULL,error); } MPI_Bcast(&epsilon[i][j],1,MPI_DOUBLE,0,world); MPI_Bcast(&sigma[i][j],1,MPI_DOUBLE,0,world); @@ -388,10 +389,10 @@ void PairLJSmooth::read_restart_settings(FILE *fp) { int me = comm->me; if (me == 0) { - fread(&cut_inner_global,sizeof(double),1,fp); - fread(&cut_global,sizeof(double),1,fp); - fread(&offset_flag,sizeof(int),1,fp); - fread(&mix_flag,sizeof(int),1,fp); + utils::sfread(FLERR,&cut_inner_global,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&cut_global,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&offset_flag,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&mix_flag,sizeof(int),1,fp,NULL,error); } MPI_Bcast(&cut_inner_global,1,MPI_DOUBLE,0,world); MPI_Bcast(&cut_global,1,MPI_DOUBLE,0,world); diff --git a/src/pair_lj_smooth_linear.cpp b/src/pair_lj_smooth_linear.cpp index bc2904c262..16d5e96c12 100644 --- a/src/pair_lj_smooth_linear.cpp +++ b/src/pair_lj_smooth_linear.cpp @@ -24,6 +24,7 @@ #include "neigh_list.h" #include "memory.h" #include "error.h" +#include "utils.h" using namespace LAMMPS_NS; @@ -284,13 +285,13 @@ void PairLJSmoothLinear::read_restart(FILE *fp) int me = comm->me; for (i = 1; i <= atom->ntypes; i++) for (j = i; j <= atom->ntypes; j++) { - if (me == 0) fread(&setflag[i][j],sizeof(int),1,fp); + if (me == 0) utils::sfread(FLERR,&setflag[i][j],sizeof(int),1,fp,NULL,error); MPI_Bcast(&setflag[i][j],1,MPI_INT,0,world); if (setflag[i][j]) { if (me == 0) { - fread(&epsilon[i][j],sizeof(double),1,fp); - fread(&sigma[i][j],sizeof(double),1,fp); - fread(&cut[i][j],sizeof(double),1,fp); + utils::sfread(FLERR,&epsilon[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&sigma[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&cut[i][j],sizeof(double),1,fp,NULL,error); } MPI_Bcast(&epsilon[i][j],1,MPI_DOUBLE,0,world); MPI_Bcast(&sigma[i][j],1,MPI_DOUBLE,0,world); @@ -317,8 +318,8 @@ void PairLJSmoothLinear::read_restart_settings(FILE *fp) { int me = comm->me; if (me == 0) { - fread(&cut_global,sizeof(double),1,fp); - fread(&mix_flag,sizeof(int),1,fp); + utils::sfread(FLERR,&cut_global,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&mix_flag,sizeof(int),1,fp,NULL,error); } MPI_Bcast(&cut_global,1,MPI_DOUBLE,0,world); MPI_Bcast(&mix_flag,1,MPI_INT,0,world); diff --git a/src/pair_mie_cut.cpp b/src/pair_mie_cut.cpp index 46657687f6..4ce82381f3 100644 --- a/src/pair_mie_cut.cpp +++ b/src/pair_mie_cut.cpp @@ -30,6 +30,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" +#include "utils.h" using namespace LAMMPS_NS; using namespace MathConst; @@ -626,15 +627,15 @@ void PairMIECut::read_restart(FILE *fp) int me = comm->me; for (i = 1; i <= atom->ntypes; i++) for (j = i; j <= atom->ntypes; j++) { - if (me == 0) fread(&setflag[i][j],sizeof(int),1,fp); + if (me == 0) utils::sfread(FLERR,&setflag[i][j],sizeof(int),1,fp,NULL,error); MPI_Bcast(&setflag[i][j],1,MPI_INT,0,world); if (setflag[i][j]) { if (me == 0) { - fread(&epsilon[i][j],sizeof(double),1,fp); - fread(&sigma[i][j],sizeof(double),1,fp); - fread(&gamR[i][j],sizeof(double),1,fp); - fread(&gamA[i][j],sizeof(double),1,fp); - fread(&cut[i][j],sizeof(double),1,fp); + utils::sfread(FLERR,&epsilon[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&sigma[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&gamR[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&gamA[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&cut[i][j],sizeof(double),1,fp,NULL,error); } MPI_Bcast(&epsilon[i][j],1,MPI_DOUBLE,0,world); MPI_Bcast(&sigma[i][j],1,MPI_DOUBLE,0,world); @@ -665,10 +666,10 @@ void PairMIECut::read_restart_settings(FILE *fp) { int me = comm->me; if (me == 0) { - fread(&cut_global,sizeof(double),1,fp); - fread(&offset_flag,sizeof(int),1,fp); - fread(&mix_flag,sizeof(int),1,fp); - fread(&tail_flag,sizeof(int),1,fp); + utils::sfread(FLERR,&cut_global,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&offset_flag,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&mix_flag,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&tail_flag,sizeof(int),1,fp,NULL,error); } MPI_Bcast(&cut_global,1,MPI_DOUBLE,0,world); MPI_Bcast(&offset_flag,1,MPI_INT,0,world); diff --git a/src/pair_morse.cpp b/src/pair_morse.cpp index d088f98bf4..86f0e34bf8 100644 --- a/src/pair_morse.cpp +++ b/src/pair_morse.cpp @@ -21,6 +21,7 @@ #include "neigh_list.h" #include "memory.h" #include "error.h" +#include "utils.h" using namespace LAMMPS_NS; @@ -264,14 +265,14 @@ void PairMorse::read_restart(FILE *fp) int me = comm->me; for (i = 1; i <= atom->ntypes; i++) for (j = i; j <= atom->ntypes; j++) { - if (me == 0) fread(&setflag[i][j],sizeof(int),1,fp); + if (me == 0) utils::sfread(FLERR,&setflag[i][j],sizeof(int),1,fp,NULL,error); MPI_Bcast(&setflag[i][j],1,MPI_INT,0,world); if (setflag[i][j]) { if (me == 0) { - fread(&d0[i][j],sizeof(double),1,fp); - fread(&alpha[i][j],sizeof(double),1,fp); - fread(&r0[i][j],sizeof(double),1,fp); - fread(&cut[i][j],sizeof(double),1,fp); + utils::sfread(FLERR,&d0[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&alpha[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&r0[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&cut[i][j],sizeof(double),1,fp,NULL,error); } MPI_Bcast(&d0[i][j],1,MPI_DOUBLE,0,world); MPI_Bcast(&alpha[i][j],1,MPI_DOUBLE,0,world); @@ -299,9 +300,9 @@ void PairMorse::write_restart_settings(FILE *fp) void PairMorse::read_restart_settings(FILE *fp) { if (comm->me == 0) { - fread(&cut_global,sizeof(double),1,fp); - fread(&offset_flag,sizeof(int),1,fp); - fread(&mix_flag,sizeof(int),1,fp); + utils::sfread(FLERR,&cut_global,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&offset_flag,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&mix_flag,sizeof(int),1,fp,NULL,error); } MPI_Bcast(&cut_global,1,MPI_DOUBLE,0,world); MPI_Bcast(&offset_flag,1,MPI_INT,0,world); diff --git a/src/pair_soft.cpp b/src/pair_soft.cpp index 6f821e684b..ddfc4476dc 100644 --- a/src/pair_soft.cpp +++ b/src/pair_soft.cpp @@ -22,6 +22,7 @@ #include "math_const.h" #include "memory.h" #include "error.h" +#include "utils.h" using namespace LAMMPS_NS; using namespace MathConst; @@ -244,12 +245,12 @@ void PairSoft::read_restart(FILE *fp) int me = comm->me; for (i = 1; i <= atom->ntypes; i++) for (j = i; j <= atom->ntypes; j++) { - if (me == 0) fread(&setflag[i][j],sizeof(int),1,fp); + if (me == 0) utils::sfread(FLERR,&setflag[i][j],sizeof(int),1,fp,NULL,error); MPI_Bcast(&setflag[i][j],1,MPI_INT,0,world); if (setflag[i][j]) { if (me == 0) { - fread(&prefactor[i][j],sizeof(double),1,fp); - fread(&cut[i][j],sizeof(double),1,fp); + utils::sfread(FLERR,&prefactor[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&cut[i][j],sizeof(double),1,fp,NULL,error); } MPI_Bcast(&prefactor[i][j],1,MPI_DOUBLE,0,world); MPI_Bcast(&cut[i][j],1,MPI_DOUBLE,0,world); @@ -274,8 +275,8 @@ void PairSoft::write_restart_settings(FILE *fp) void PairSoft::read_restart_settings(FILE *fp) { if (comm->me == 0) { - fread(&cut_global,sizeof(double),1,fp); - fread(&mix_flag,sizeof(int),1,fp); + utils::sfread(FLERR,&cut_global,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&mix_flag,sizeof(int),1,fp,NULL,error); } MPI_Bcast(&cut_global,1,MPI_DOUBLE,0,world); MPI_Bcast(&mix_flag,1,MPI_INT,0,world); diff --git a/src/pair_table.cpp b/src/pair_table.cpp index 9fcbc3ee9f..9cb86b4123 100644 --- a/src/pair_table.cpp +++ b/src/pair_table.cpp @@ -976,13 +976,13 @@ void PairTable::write_restart_settings(FILE *fp) void PairTable::read_restart_settings(FILE *fp) { if (comm->me == 0) { - fread(&tabstyle,sizeof(int),1,fp); - fread(&tablength,sizeof(int),1,fp); - fread(&ewaldflag,sizeof(int),1,fp); - fread(&pppmflag,sizeof(int),1,fp); - fread(&msmflag,sizeof(int),1,fp); - fread(&dispersionflag,sizeof(int),1,fp); - fread(&tip4pflag,sizeof(int),1,fp); + utils::sfread(FLERR,&tabstyle,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&tablength,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&ewaldflag,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&pppmflag,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&msmflag,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&dispersionflag,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&tip4pflag,sizeof(int),1,fp,NULL,error); } MPI_Bcast(&tabstyle,1,MPI_INT,0,world); MPI_Bcast(&tablength,1,MPI_INT,0,world); diff --git a/src/pair_ufm.cpp b/src/pair_ufm.cpp index 8cc4d2796f..ba3ad9ee50 100644 --- a/src/pair_ufm.cpp +++ b/src/pair_ufm.cpp @@ -27,6 +27,7 @@ #include "neigh_list.h" #include "memory.h" #include "error.h" +#include "utils.h" using namespace LAMMPS_NS; @@ -278,13 +279,13 @@ void PairUFM::read_restart(FILE *fp) int me = comm->me; for (i = 1; i <= atom->ntypes; i++) for (j = i; j <= atom->ntypes; j++) { - if (me == 0) fread(&setflag[i][j],sizeof(int),1,fp); + if (me == 0) utils::sfread(FLERR,&setflag[i][j],sizeof(int),1,fp,NULL,error); MPI_Bcast(&setflag[i][j],1,MPI_INT,0,world); if (setflag[i][j]) { if (me == 0) { - fread(&epsilon[i][j],sizeof(double),1,fp); - fread(&sigma[i][j],sizeof(double),1,fp); - fread(&cut[i][j],sizeof(double),1,fp); + utils::sfread(FLERR,&epsilon[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&sigma[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&cut[i][j],sizeof(double),1,fp,NULL,error); } MPI_Bcast(&epsilon[i][j],1,MPI_DOUBLE,0,world); MPI_Bcast(&sigma[i][j],1,MPI_DOUBLE,0,world); @@ -312,9 +313,9 @@ void PairUFM::read_restart_settings(FILE *fp) { int me = comm->me; if (me == 0) { - fread(&cut_global,sizeof(double),1,fp); - fread(&offset_flag,sizeof(int),1,fp); - fread(&mix_flag,sizeof(int),1,fp); + utils::sfread(FLERR,&cut_global,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&offset_flag,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&mix_flag,sizeof(int),1,fp,NULL,error); } MPI_Bcast(&cut_global,1,MPI_DOUBLE,0,world); MPI_Bcast(&offset_flag,1,MPI_INT,0,world); diff --git a/src/pair_yukawa.cpp b/src/pair_yukawa.cpp index e8775c9668..d1e06fdb84 100644 --- a/src/pair_yukawa.cpp +++ b/src/pair_yukawa.cpp @@ -20,6 +20,7 @@ #include "neigh_list.h" #include "memory.h" #include "error.h" +#include "utils.h" using namespace LAMMPS_NS; @@ -252,12 +253,12 @@ void PairYukawa::read_restart(FILE *fp) int me = comm->me; for (i = 1; i <= atom->ntypes; i++) for (j = i; j <= atom->ntypes; j++) { - if (me == 0) fread(&setflag[i][j],sizeof(int),1,fp); + if (me == 0) utils::sfread(FLERR,&setflag[i][j],sizeof(int),1,fp,NULL,error); MPI_Bcast(&setflag[i][j],1,MPI_INT,0,world); if (setflag[i][j]) { if (me == 0) { - fread(&a[i][j],sizeof(double),1,fp); - fread(&cut[i][j],sizeof(double),1,fp); + utils::sfread(FLERR,&a[i][j],sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&cut[i][j],sizeof(double),1,fp,NULL,error); } MPI_Bcast(&a[i][j],1,MPI_DOUBLE,0,world); MPI_Bcast(&cut[i][j],1,MPI_DOUBLE,0,world); @@ -284,10 +285,10 @@ void PairYukawa::write_restart_settings(FILE *fp) void PairYukawa::read_restart_settings(FILE *fp) { if (comm->me == 0) { - fread(&kappa,sizeof(double),1,fp); - fread(&cut_global,sizeof(double),1,fp); - fread(&offset_flag,sizeof(int),1,fp); - fread(&mix_flag,sizeof(int),1,fp); + utils::sfread(FLERR,&kappa,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&cut_global,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&offset_flag,sizeof(int),1,fp,NULL,error); + utils::sfread(FLERR,&mix_flag,sizeof(int),1,fp,NULL,error); } MPI_Bcast(&kappa,1,MPI_DOUBLE,0,world); MPI_Bcast(&cut_global,1,MPI_DOUBLE,0,world); diff --git a/src/pair_zero.cpp b/src/pair_zero.cpp index 403bd73944..a549848a9c 100644 --- a/src/pair_zero.cpp +++ b/src/pair_zero.cpp @@ -23,6 +23,7 @@ #include "force.h" #include "memory.h" #include "error.h" +#include "utils.h" using namespace LAMMPS_NS; @@ -170,11 +171,11 @@ void PairZero::read_restart(FILE *fp) int me = comm->me; for (i = 1; i <= atom->ntypes; i++) for (j = i; j <= atom->ntypes; j++) { - if (me == 0) fread(&setflag[i][j],sizeof(int),1,fp); + if (me == 0) utils::sfread(FLERR,&setflag[i][j],sizeof(int),1,fp,NULL,error); MPI_Bcast(&setflag[i][j],1,MPI_INT,0,world); if (setflag[i][j]) { if (me == 0) { - fread(&cut[i][j],sizeof(double),1,fp); + utils::sfread(FLERR,&cut[i][j],sizeof(double),1,fp,NULL,error); } MPI_Bcast(&cut[i][j],1,MPI_DOUBLE,0,world); } @@ -199,8 +200,8 @@ void PairZero::read_restart_settings(FILE *fp) { int me = comm->me; if (me == 0) { - fread(&cut_global,sizeof(double),1,fp); - fread(&coeffflag,sizeof(int),1,fp); + utils::sfread(FLERR,&cut_global,sizeof(double),1,fp,NULL,error); + utils::sfread(FLERR,&coeffflag,sizeof(int),1,fp,NULL,error); } MPI_Bcast(&cut_global,1,MPI_DOUBLE,0,world); MPI_Bcast(&coeffflag,1,MPI_INT,0,world); diff --git a/src/read_restart.cpp b/src/read_restart.cpp index 62ce209b90..a31700990d 100644 --- a/src/read_restart.cpp +++ b/src/read_restart.cpp @@ -35,6 +35,7 @@ #include "mpiio.h" #include "memory.h" #include "error.h" +#include "utils.h" using namespace LAMMPS_NS; @@ -302,24 +303,24 @@ void ReadRestart::command(int narg, char **arg) error->one(FLERR,str); } - fread(&flag,sizeof(int),1,fp); + utils::sfread(FLERR,&flag,sizeof(int),1,fp,NULL,error); if (flag != PROCSPERFILE) error->one(FLERR,"Invalid flag in peratom section of restart file"); int procsperfile; - fread(&procsperfile,sizeof(int),1,fp); + utils::sfread(FLERR,&procsperfile,sizeof(int),1,fp,NULL,error); for (int i = 0; i < procsperfile; i++) { - fread(&flag,sizeof(int),1,fp); + utils::sfread(FLERR,&flag,sizeof(int),1,fp,NULL,error); if (flag != PERPROC) error->one(FLERR,"Invalid flag in peratom section of restart file"); - fread(&n,sizeof(int),1,fp); + utils::sfread(FLERR,&n,sizeof(int),1,fp,NULL,error); if (n > maxbuf) { maxbuf = n; memory->destroy(buf); memory->create(buf,maxbuf,"read_restart:buf"); } - fread(buf,sizeof(double),n,fp); + utils::sfread(FLERR,buf,sizeof(double),n,fp,NULL,error); m = 0; while (m < n) m += avec->unpack_restart(&buf[m]); @@ -379,10 +380,10 @@ void ReadRestart::command(int narg, char **arg) int flag,procsperfile; if (filereader) { - fread(&flag,sizeof(int),1,fp); + utils::sfread(FLERR,&flag,sizeof(int),1,fp,NULL,error); if (flag != PROCSPERFILE) error->one(FLERR,"Invalid flag in peratom section of restart file"); - fread(&procsperfile,sizeof(int),1,fp); + utils::sfread(FLERR,&procsperfile,sizeof(int),1,fp,NULL,error); } MPI_Bcast(&procsperfile,1,MPI_INT,0,clustercomm); @@ -391,17 +392,17 @@ void ReadRestart::command(int narg, char **arg) for (int i = 0; i < procsperfile; i++) { if (filereader) { - fread(&flag,sizeof(int),1,fp); + utils::sfread(FLERR,&flag,sizeof(int),1,fp,NULL,error); if (flag != PERPROC) error->one(FLERR,"Invalid flag in peratom section of restart file"); - fread(&n,sizeof(int),1,fp); + utils::sfread(FLERR,&n,sizeof(int),1,fp,NULL,error); if (n > maxbuf) { maxbuf = n; memory->destroy(buf); memory->create(buf,maxbuf,"read_restart:buf"); } - fread(buf,sizeof(double),n,fp); + utils::sfread(FLERR,buf,sizeof(double),n,fp,NULL,error); if (i % nclusterprocs) { iproc = me + (i % nclusterprocs); @@ -1105,7 +1106,7 @@ void ReadRestart::file_layout() memory->create(nproc_chunk_number,nprocs, "write_restart:nproc_chunk_number"); - fread(all_written_send_sizes,sizeof(int),nprocs_file,fp); + utils::sfread(FLERR,all_written_send_sizes,sizeof(int),nprocs_file,fp,NULL,error); if ((nprocs != nprocs_file) && !(atom->nextra_store)) { // nprocs differ, but atom sizes are fixed length, yeah! @@ -1287,7 +1288,7 @@ char *ReadRestart::read_string() int n = read_int(); if (n < 0) error->all(FLERR,"Illegal size string or corrupt restart"); char *value = new char[n]; - if (me == 0) fread(value,sizeof(char),n,fp); + if (me == 0) utils::sfread(FLERR,value,sizeof(char),n,fp,NULL,error); MPI_Bcast(value,n,MPI_CHAR,0,world); return value; } @@ -1299,7 +1300,7 @@ char *ReadRestart::read_string() void ReadRestart::read_int_vec(int n, int *vec) { if (n < 0) error->all(FLERR,"Illegal size integer vector read requested"); - if (me == 0) fread(vec,sizeof(int),n,fp); + if (me == 0) utils::sfread(FLERR,vec,sizeof(int),n,fp,NULL,error); MPI_Bcast(vec,n,MPI_INT,0,world); } @@ -1310,6 +1311,6 @@ void ReadRestart::read_int_vec(int n, int *vec) void ReadRestart::read_double_vec(int n, double *vec) { if (n < 0) error->all(FLERR,"Illegal size double vector read requested"); - if (me == 0) fread(vec,sizeof(double),n,fp); + if (me == 0) utils::sfread(FLERR,vec,sizeof(double),n,fp,NULL,error); MPI_Bcast(vec,n,MPI_DOUBLE,0,world); }