From 323196866ee373d9c7d4d93b03faed0e0a7412b0 Mon Sep 17 00:00:00 2001 From: Giovanni Bussi Date: Sun, 1 May 2022 14:10:11 +0200 Subject: [PATCH] Use a single threads in logmfd tests This is required to avoid failures when simpled runs with 2 threads and produces a slightly different trajectory --- regtest/logmfd/rt-logmfd-nve/config | 1 + regtest/logmfd/rt-logmfd-nvt/config | 2 +- regtest/logmfd/rt-logmfd-vs/config | 1 + 3 files changed, 3 insertions(+), 1 deletion(-) diff --git a/regtest/logmfd/rt-logmfd-nve/config b/regtest/logmfd/rt-logmfd-nve/config index fb67c7e879..2c1d496468 100644 --- a/regtest/logmfd/rt-logmfd-nve/config +++ b/regtest/logmfd/rt-logmfd-nve/config @@ -2,5 +2,6 @@ type=simplemd plumed_modules=logmfd arg="--plumed plumed.dat < in" extra_files="../input.xyz" +export PLUMED_NUM_THREADS=1 diff --git a/regtest/logmfd/rt-logmfd-nvt/config b/regtest/logmfd/rt-logmfd-nvt/config index fb67c7e879..77faf5d9ce 100644 --- a/regtest/logmfd/rt-logmfd-nvt/config +++ b/regtest/logmfd/rt-logmfd-nvt/config @@ -2,5 +2,5 @@ type=simplemd plumed_modules=logmfd arg="--plumed plumed.dat < in" extra_files="../input.xyz" - +export PLUMED_NUM_THREADS=1 diff --git a/regtest/logmfd/rt-logmfd-vs/config b/regtest/logmfd/rt-logmfd-vs/config index fb67c7e879..2c1d496468 100644 --- a/regtest/logmfd/rt-logmfd-vs/config +++ b/regtest/logmfd/rt-logmfd-vs/config @@ -2,5 +2,6 @@ type=simplemd plumed_modules=logmfd arg="--plumed plumed.dat < in" extra_files="../input.xyz" +export PLUMED_NUM_THREADS=1