From 6021abaee78542b46124eb16fa86ac0adc75ad81 Mon Sep 17 00:00:00 2001
From: "Kurt A. O'Hearn" <ohearnku@msu.edu>
Date: Thu, 18 Mar 2021 01:17:45 -0400
Subject: [PATCH] sPuReMD: correctly set the number of OpenMP threads.
---
sPuReMD/src/init_md.c | 9 +++------
1 file changed, 3 insertions(+), 6 deletions(-)
diff --git a/sPuReMD/src/init_md.c b/sPuReMD/src/init_md.c
index d18ddbc5..dd1b8291 100644
--- a/sPuReMD/src/init_md.c
+++ b/sPuReMD/src/init_md.c
@@ -1290,12 +1290,7 @@ void Initialize( reax_system *system, control_params *control,
{
#pragma omp single
{
- if ( control->num_threads_set == TRUE )
- {
- /* set using control file num_threads keyword */
- omp_set_num_threads( control->num_threads );
- }
- else
+ if ( control->num_threads_set == FALSE )
{
/* set using OMP_NUM_THREADS environment variable */
control->num_threads = omp_get_num_threads( );
@@ -1303,6 +1298,8 @@ void Initialize( reax_system *system, control_params *control,
}
}
}
+
+ omp_set_num_threads( control->num_threads );
#else
control->num_threads = 1;
#endif
--
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