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-rwxr-xr-xpmemd.cuda.MPI7
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