ICODE-ADC/lammps
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remove local copy of "me"

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This commit is contained in:
Axel Kohlmeyer
2020-07-29 21:31:51 -04:00
parent 5452f72bd9
commit c355348ff9
4 changed files with 10 additions and 13 deletions
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8
src/MISC/fix_ttm.cpp
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@ -145,7 +145,7 @@ FixTTM::FixTTM(LAMMPS *lmp, int narg, char **arg) :
// set initial electron temperatures from user input file
if (me == 0) read_initial_electron_temperatures(arg[13]);
if (comm->me == 0) read_initial_electron_temperatures(arg[13]);
MPI_Bcast(&T_electron[0][0][0],total_nnodes,MPI_DOUBLE,0,world);
}
@ -153,7 +153,7 @@ FixTTM::FixTTM(LAMMPS *lmp, int narg, char **arg) :
FixTTM::~FixTTM()
{
if (nfileevery && me == 0) fclose(fp);
if (fp) fclose(fp);
delete random;
@ -360,7 +360,7 @@ void FixTTM::read_initial_electron_temperatures(const char *filename)
error->one(FLERR,"Fix ttm electron temperatures must be > 0.0");
T_electron[ixnode][iynode][iznode] = T_tmp;
T_initial_set[ixnode][iynode][iznode] = 1;
T_initial_set[ixnode][iynode][iznode] = 1.0;
}
// check completeness of input data
@ -526,7 +526,7 @@ void FixTTM::end_of_step()
MPI_Allreduce(&sum_mass_vsq[0][0][0],&sum_mass_vsq_all[0][0][0],
total_nnodes,MPI_DOUBLE,MPI_SUM,world);
if (me == 0) {
if (comm->me == 0) {
fmt::print(fp,"{}",update->ntimestep);
double T_a;

1
src/MISC/fix_ttm.h
View File

@ -48,7 +48,6 @@ class FixTTM : public Fix {
double compute_vector(int);
private:
int me;
int nfileevery;
int nlevels_respa;
int seed;

11
src/USER-MISC/fix_ttm_mod.cpp
View File

@ -66,7 +66,7 @@ static const char cite_fix_ttm_mod[] =
/* ---------------------------------------------------------------------- */
FixTTMMod::FixTTMMod(LAMMPS *lmp, int narg, char **arg) :
Fix(lmp, narg, arg)
Fix(lmp, narg, arg), fp(NULL)
{
if (lmp->citeme) lmp->citeme->add(cite_fix_ttm_mod);
@ -96,8 +96,7 @@ FixTTMMod::FixTTMMod(LAMMPS *lmp, int narg, char **arg) :
nfileevery = force->inumeric(FLERR,arg[9]);
if (nfileevery > 0) {
if (narg != 11) error->all(FLERR,"Illegal fix ttm/mod command");
MPI_Comm_rank(world,&me);
if (me == 0) {
if (comm->me == 0) {
fp = fopen(arg[10],"w");
if (fp == NULL) {
char str[128];
@ -159,7 +158,7 @@ FixTTMMod::FixTTMMod(LAMMPS *lmp, int narg, char **arg) :
atom->add_callback(0);
atom->add_callback(1);
// set initial electron temperatures from user input file
if (me == 0) read_initial_electron_temperatures(arg[13]);
if (comm->me == 0) read_initial_electron_temperatures(arg[13]);
MPI_Bcast(&T_electron[0][0][0],total_nnodes,MPI_DOUBLE,0,world);
}
@ -167,7 +166,7 @@ FixTTMMod::FixTTMMod(LAMMPS *lmp, int narg, char **arg) :
FixTTMMod::~FixTTMMod()
{
if (nfileevery && me == 0) fclose(fp);
if (fp) fclose(fp);
delete random;
delete [] gfactor1;
delete [] gfactor2;
@ -806,7 +805,7 @@ void FixTTMMod::end_of_step()
total_nnodes,MPI_DOUBLE,MPI_SUM,world);
MPI_Allreduce(&t_surface_l,&surface_l,
1,MPI_INT,MPI_MIN,world);
if (me == 0) {
if (comm->me == 0) {
fmt::print(fp,"{}",update->ntimestep);
double T_a;
for (int ixnode = 0; ixnode < nxnodes; ixnode++)

1
src/USER-MISC/fix_ttm_mod.h
View File

@ -53,7 +53,6 @@ class FixTTMMod : public Fix {
double compute_vector(int);
private:
int me;
int nfileevery;
int nlevels_respa;
int seed;