Improved mapping procs to node.

hfp · May 21, 2024 · 1da6cda · 1da6cda
1 parent 5006822
commit 1da6cda
Showing 1 changed file with 1 addition and 2 deletions.
diff --git a/config/cp2k/run.sh b/config/cp2k/run.sh
@@ -146,8 +146,7 @@ if [ "${I_MPI_ROOT}" ]; then
 else
   HOSTS=$(sed 's/^\(..*[^,]\),*$/\1/' <<<"${HOSTS}" | sed -e "s/,/:${NC},/g" -e "s/$/:${NC}/")
   MPIRUNFLAGS="${MPIRUNFLAGS} --report-bindings"
-  #MPIRUNFLAGS="${MPIRUNFLAGS} --map-by slot:PE=${NC}"
-  MPIRUNFLAGS="${MPIRUNFLAGS} --map-by ppr:${NRANKS}:node"
+  MPIRUNFLAGS="${MPIRUNFLAGS} --map-by ppr:$(((NRANKS+NS-1)/NS)):package:PE=$((NC/NRANKS))"
   ENVFLAG=-x
   ENVEQ='='
 fi