From 154daf68904a93792038e23fded522647794d295 Mon Sep 17 00:00:00 2001 From: Caubet Serrabou Marc Date: Wed, 28 Aug 2019 14:21:56 +0200 Subject: [PATCH] Added Gromacs 2019 with GPU support --- MPI/gromacs/2019/variants | 4 +++- 1 file changed, 3 insertions(+), 1 deletion(-) diff --git a/MPI/gromacs/2019/variants b/MPI/gromacs/2019/variants index 615c96b..208381a 100644 --- a/MPI/gromacs/2019/variants +++ b/MPI/gromacs/2019/variants @@ -1 +1,3 @@ -gromacs/2019.3_sp unstable gcc/7.4.0 openmpi/4.0.1 cuda/10.0.130 Python/2.7.16 b:cmake/3.14.0 +gromacs/2019.3_sp unstable gcc/7.4.0 openmpi/3.1.4_merlin6 cuda/10.0.130 Python/2.7.16 b:cmake/3.14.0 +gromacs/2019.3_sp removed gcc/7.4.0 openmpi/4.0.1 +gromacs/2019.3_sp removed gcc/8.3.0 openmpi/3.1.4