ICODE-ADC/lammps
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Don't unnecessarily reissue package command in post_create() via suffix

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This commit is contained in:
W. Michael Brown
2022-10-06 21:30:54 -07:00
parent a6a39d47e1
commit 079351e081
1 changed files with 36 additions and 20 deletions
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56
src/lammps.cpp
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@ -46,6 +46,7 @@
#include "modify.h"
#include "neighbor.h"
#include "output.h"
#include "suffix.h"
#include "timer.h"
#include "universe.h"
#include "update.h"
@ -858,10 +859,33 @@ void LAMMPS::post_create()
{
if (skiprunflag) input->one("timer timeout 0 every 1");
// Don't unnecessarily reissue a package command via suffix
int package_issued = 0;
// default package command triggered by "-k on"
if (kokkos && kokkos->kokkos_exists) input->one("package kokkos");
// invoke any command-line package commands
if (num_package) {
std::string str;
for (int i = 0; i < num_package; i++) {
str = "package";
char *pkg_name = *(packargs[i]);
if (pkg_name != nullptr) {
if (strcmp("gpu", pkg_name) == 0) package_issued |= Suffix::GPU;
if (strcmp("omp", pkg_name) == 0) package_issued |= Suffix::OMP;
if (strcmp("intel", pkg_name) == 0) package_issued |= Suffix::INTEL;
}
for (char **ptr = packargs[i]; *ptr != nullptr; ++ptr) {
str += " ";
str += *ptr;
}
input->one(str);
}
}
// suffix will always be set if suffix_enable = 1
// check that KOKKOS package classes were instantiated
// check that GPU, INTEL, OPENMP fixes were compiled with LAMMPS
@ -878,28 +902,20 @@ void LAMMPS::post_create()
if (strcmp(suffix,"omp") == 0 && !modify->check_package("OMP"))
error->all(FLERR,"Using suffix omp without OPENMP package installed");
if (strcmp(suffix,"gpu") == 0) input->one("package gpu 0");
if (strcmp(suffix,"intel") == 0) input->one("package intel 1");
if (strcmp(suffix,"omp") == 0) input->one("package omp 0");
if (strcmp(suffix,"gpu") == 0 && !(package_issued & Suffix::GPU))
input->one("package gpu 0");
if (strcmp(suffix,"intel") == 0 && !(package_issued & Suffix::INTEL))
input->one("package intel 1");
if (strcmp(suffix,"omp") == 0 && !(package_issued & Suffix::OMP))
input->one("package omp 0");
if (suffix2) {
if (strcmp(suffix2,"gpu") == 0) input->one("package gpu 0");
if (strcmp(suffix2,"intel") == 0) input->one("package intel 1");
if (strcmp(suffix2,"omp") == 0) input->one("package omp 0");
}
}
// invoke any command-line package commands
if (num_package) {
std::string str;
for (int i = 0; i < num_package; i++) {
str = "package";
for (char **ptr = packargs[i]; *ptr != nullptr; ++ptr) {
str += " ";
str += *ptr;
}
input->one(str);
if (strcmp(suffix2,"gpu") == 0 && !(package_issued & Suffix::GPU))
input->one("package gpu 0");
if (strcmp(suffix2,"intel") == 0 && !(package_issued & Suffix::INTEL))
input->one("package intel 1");
if (strcmp(suffix2,"omp") == 0 && !(package_issued & Suffix::OMP))
input->one("package omp 0");
}
}
}