ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

update format strings for bond, dihedral and improper warnings that use tags

Browse Source
This commit is contained in:
Axel Kohlmeyer
2014-01-28 12:53:42 -05:00
parent 961d9171eb
commit bea87398b3
10 changed files with 28 additions and 10 deletions
Download Patch File Download Diff File Expand all files Collapse all files

3
src/USER-OMP/bond_fene_expand_omp.cpp
View File

@ -117,7 +117,8 @@ void BondFENEExpandOMP::eval(int nfrom, int nto, ThrData * const thr)
if (rlogarg < 0.1) {
char str[128];
sprintf(str,"FENE bond too long: " BIGINT_FORMAT " %d %d %g",
sprintf(str,"FENE bond too long: " BIGINT_FORMAT " "
TAGINT_FORMAT " " TAGINT_FORMAT " %g",
update->ntimestep,atom->tag[i1],atom->tag[i2],sqrt(rsq));
error->warning(FLERR,str,0);

3
src/USER-OMP/bond_fene_omp.cpp
View File

@ -113,7 +113,8 @@ void BondFENEOMP::eval(int nfrom, int nto, ThrData * const thr)
if (rlogarg < 0.1) {
char str[128];
sprintf(str,"FENE bond too long: " BIGINT_FORMAT " %d %d %g",
sprintf(str,"FENE bond too long: " BIGINT_FORMAT " "
TAGINT_FORMAT " " TAGINT_FORMAT " %g",
update->ntimestep,atom->tag[i1],atom->tag[i2],sqrt(rsq));
error->warning(FLERR,str,0);

4
src/USER-OMP/dihedral_charmm_omp.cpp
View File

@ -174,7 +174,9 @@ void DihedralCharmmOMP::eval(int nfrom, int nto, ThrData * const thr)
if (screen) {
char str[128];
sprintf(str,"Dihedral problem: %d/%d " BIGINT_FORMAT " %d %d %d %d",
sprintf(str,"Dihedral problem: %d/%d " BIGINT_FORMAT " "
TAGINT_FORMAT " " TAGINT_FORMAT " "
TAGINT_FORMAT " " TAGINT_FORMAT,
me,thr->get_tid(),update->ntimestep,
atom->tag[i1],atom->tag[i2],atom->tag[i3],atom->tag[i4]);
error->warning(FLERR,str,0);

4
src/USER-OMP/dihedral_cosine_shift_exp_omp.cpp
View File

@ -161,7 +161,9 @@ void DihedralCosineShiftExpOMP::eval(int nfrom, int nto, ThrData * const thr)
if (screen) {
char str[128];
sprintf(str,"Dihedral problem: %d/%d " BIGINT_FORMAT " %d %d %d %d",
sprintf(str,"Dihedral problem: %d/%d " BIGINT_FORMAT " "
TAGINT_FORMAT " " TAGINT_FORMAT " "
TAGINT_FORMAT " " TAGINT_FORMAT,
me,thr->get_tid(),update->ntimestep,
atom->tag[i1],atom->tag[i2],atom->tag[i3],atom->tag[i4]);
error->warning(FLERR,str,0);

4
src/USER-OMP/dihedral_harmonic_omp.cpp
View File

@ -160,7 +160,9 @@ void DihedralHarmonicOMP::eval(int nfrom, int nto, ThrData * const thr)
if (screen) {
char str[128];
sprintf(str,"Dihedral problem: %d/%d " BIGINT_FORMAT " %d %d %d %d",
sprintf(str,"Dihedral problem: %d/%d " BIGINT_FORMAT " "
TAGINT_FORMAT " " TAGINT_FORMAT " "
TAGINT_FORMAT " " TAGINT_FORMAT,
me,thr->get_tid(),update->ntimestep,
atom->tag[i1],atom->tag[i2],atom->tag[i3],atom->tag[i4]);
error->warning(FLERR,str,0);

4
src/USER-OMP/dihedral_multi_harmonic_omp.cpp
View File

@ -182,7 +182,9 @@ void DihedralMultiHarmonicOMP::eval(int nfrom, int nto, ThrData * const thr)
int me = comm->me;
if (screen) {
char str[128];
sprintf(str,"Dihedral problem: %d/%d " BIGINT_FORMAT " %d %d %d %d",
sprintf(str,"Dihedral problem: %d/%d " BIGINT_FORMAT " "
TAGINT_FORMAT " " TAGINT_FORMAT " "
TAGINT_FORMAT " " TAGINT_FORMAT,
me,thr->get_tid(),update->ntimestep,
atom->tag[i1],atom->tag[i2],atom->tag[i3],atom->tag[i4]);
error->warning(FLERR,str,0);

4
src/USER-OMP/dihedral_opls_omp.cpp
View File

@ -190,7 +190,9 @@ void DihedralOPLSOMP::eval(int nfrom, int nto, ThrData * const thr)
if (screen) {
char str[128];
sprintf(str,"Dihedral problem: %d/%d " BIGINT_FORMAT " %d %d %d %d",
sprintf(str,"Dihedral problem: %d/%d " BIGINT_FORMAT " "
TAGINT_FORMAT " " TAGINT_FORMAT " "
TAGINT_FORMAT " " TAGINT_FORMAT,
me,thr->get_tid(),update->ntimestep,
atom->tag[i1],atom->tag[i2],atom->tag[i3],atom->tag[i4]);
error->warning(FLERR,str,0);

4
src/USER-OMP/improper_cossq_omp.cpp
View File

@ -132,7 +132,9 @@ void ImproperCossqOMP::eval(int nfrom, int nto, ThrData * const thr)
if (screen) {
char str[128];
sprintf(str,"Improper problem: %d/%d " BIGINT_FORMAT " %d %d %d %d",
sprintf(str,"Improper problem: %d/%d " BIGINT_FORMAT " "
TAGINT_FORMAT " " TAGINT_FORMAT " "
TAGINT_FORMAT " " TAGINT_FORMAT,
me,thr->get_tid(),update->ntimestep,
atom->tag[i1],atom->tag[i2],atom->tag[i3],atom->tag[i4]);
error->warning(FLERR,str,0);

4
src/USER-OMP/improper_fourier_omp.cpp
View File

@ -189,7 +189,9 @@ void ImproperFourierOMP::add1_thr(const int i1,const int i2,
if (screen) {
char str[128];
sprintf(str,
"Improper problem: %d/%d " BIGINT_FORMAT " %d %d %d %d",
"Improper problem: %d/%d " BIGINT_FORMAT " "
TAGINT_FORMAT " " TAGINT_FORMAT " "
TAGINT_FORMAT " " TAGINT_FORMAT,
me,thr->get_tid(),update->ntimestep,
atom->tag[i1],atom->tag[i2],atom->tag[i3],atom->tag[i4]);
error->warning(FLERR,str,0);

4
src/USER-OMP/improper_umbrella_omp.cpp
View File

@ -154,7 +154,9 @@ void ImproperUmbrellaOMP::eval(int nfrom, int nto, ThrData * const thr)
if (screen) {
char str[128];
sprintf(str,"Improper problem: %d/%d " BIGINT_FORMAT " %d %d %d %d",
sprintf(str,"Improper problem: %d/%d " BIGINT_FORMAT " "
TAGINT_FORMAT " " TAGINT_FORMAT " "
TAGINT_FORMAT " " TAGINT_FORMAT,
me,thr->get_tid(),update->ntimestep,
atom->tag[i1],atom->tag[i2],atom->tag[i3],atom->tag[i4]);
error->warning(FLERR,str,0);