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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12458 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2014-09-09 22:30:16 +00:00
parent b57945c40e
commit 4374200a77
6 changed files with 73 additions and 63 deletions
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23
src/lammps.cpp
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@ -595,13 +595,12 @@ void LAMMPS::create()
/* ----------------------------------------------------------------------
check suffix consistency with installed packages
do this for GPU, USER-INTEL, USER-OMP
already done in constructor for USER-CUDA, KOKKOS
turn off suffix2 = omp if USER-OMP is not installed
invoke package-specific setup commands
invoke package-specific deafult package commands
only invoke if suffix is set and enabled
also check if suffix2 is set
called from LAMMPS constructor and after clear() command
so that package-specific core classes have been instantiated
------------------------------------------------------------------------- */
void LAMMPS::post_create()
@ -609,16 +608,25 @@ void LAMMPS::post_create()
if (!suffix_enable) return;
// suffix will always be set if suffix_enable = 1
// USER-CUDA and KOKKOS have package classes instantiated if enabled
// via "-c on" and "-k on"
// GPU, INTEL, USER-OMP provide their own fixes which will have
// been compiled with LAMMPS if those packages were installed
if (strcmp(suffix,"cuda") == 0 && (cuda == NULL || cuda->cuda_exists == 0))
error->all(FLERR,"Using suffix cuda without USER-CUDA package enabled");
if (strcmp(suffix,"gpu") == 0 && !modify->check_package("GPU"))
error->all(FLERR,"Using suffix gpu without GPU package installed");
if (strcmp(suffix,"intel") == 0 && !modify->check_package("Intel"))
if (strcmp(suffix,"intel") == 0 && !modify->check_package("INTEL"))
error->all(FLERR,"Using suffix intel without USER-INTEL package installed");
if (strcmp(suffix,"kk") == 0 &&
(kokkos == NULL || kokkos->kokkos_exists == 0))
error->all(FLERR,"Using suffix kk without KOKKOS package enabled");
if (strcmp(suffix,"omp") == 0 && !modify->check_package("OMP"))
error->all(FLERR,"Using suffix omp without USER-OMP package installed");
// suffix2 only currently set by -sf intel
// need to unset if LAMMPS was not built with USER-OMP package
// unset if LAMMPS was not built with USER-OMP package
if (suffix2 && strcmp(suffix2,"omp") == 0 && !modify->check_package("OMP")) {
delete [] suffix2;
@ -626,10 +634,9 @@ void LAMMPS::post_create()
}
if (suffix) {
if (strcmp(suffix,"gpu") == 0) input->one("package gpu force/neigh 0 0 1");
if (strcmp(suffix,"gpu") == 0) input->one("package gpu 1");
if (strcmp(suffix,"intel") == 0) input->one("package intel 1");
if (strcmp(suffix,"omp") == 0) input->one("package omp 0");
if (strcmp(suffix,"intel") == 0)
input->one("package intel mixed balance -1");
}
if (suffix2) {
if (strcmp(suffix,"omp") == 0) input->one("package omp 0");