diff options
Diffstat (limited to 'pmemd.cuda.MPI')
-rwxr-xr-x | pmemd.cuda.MPI | 7 |
1 files changed, 7 insertions, 0 deletions
diff --git a/pmemd.cuda.MPI b/pmemd.cuda.MPI new file mode 100755 index 000000000000..27f9e3ce7206 --- /dev/null +++ b/pmemd.cuda.MPI @@ -0,0 +1,7 @@ +#!/usr/bin/bash + +export _gccver=8.4.0 +export LD_LIBRARY_PATH="/usr/lib/gcc/x86_64-pc-linux-gnu/${_gccver}:$LD_LIBRARY_PATH" +/opt/amber/bin/pmemd.cuda_SPFP.MPI "$@" + +exit 0 |