From a4da0852098fbed77b88810e47944e5bfae078d1 Mon Sep 17 00:00:00 2001
From: Giovanni Bussi <giovanni.bussi@gmail.com>
Date: Thu, 28 Feb 2019 16:18:55 +0100
Subject: [PATCH] Fixed gromacs patch to correctly pass number of threads
---
patches/gromacs-2018.5.diff/src/programs/mdrun/runner.cpp | 5 ++++-
1 file changed, 4 insertions(+), 1 deletion(-)
diff --git a/patches/gromacs-2018.5.diff/src/programs/mdrun/runner.cpp b/patches/gromacs-2018.5.diff/src/programs/mdrun/runner.cpp
index 25a8230eb..f8a336a63 100644
--- a/patches/gromacs-2018.5.diff/src/programs/mdrun/runner.cpp
+++ b/patches/gromacs-2018.5.diff/src/programs/mdrun/runner.cpp
@@ -1342,7 +1342,10 @@ int Mdrunner::mdrunner()
/* detect plumed API version */
int pversion=0;
plumed_cmd(plumedmain,"getApiVersion",&pversion);
- if(pversion>5) plumed_cmd(plumedmain,"setNumOMPthreads",&hw_opt.nthreads_omp);
+ if(pversion>5) {
+ int nth = gmx_omp_nthreads_get(emntDefault);
+ if(pversion>5) plumed_cmd(plumedmain,"setNumOMPthreads",&nth);
+ }
}
/* END PLUMED */
--
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