X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc-M%2FCMakeLists.txt;fp=source%2Fcluster%2Fwham%2Fsrc-M%2FCMakeLists.txt;h=51a1ad6469c078387793c94468cdafe3286eb7f5;hb=d635b1b4a9826a8cac0a4a20eff8c83465800187;hp=0293d15fdf5a14d8abd21a5330134bd51c0b9b07;hpb=a22483ce85fe98de5320d19c0867c344245394a0;p=unres.git

diff --git a/source/cluster/wham/src-M/CMakeLists.txt b/source/cluster/wham/src-M/CMakeLists.txt
index 0293d15..51a1ad6 100644
--- a/source/cluster/wham/src-M/CMakeLists.txt
+++ b/source/cluster/wham/src-M/CMakeLists.txt
@@ -183,6 +183,14 @@ install(TARGETS UNRES_CLUSTER_WHAM_M_BIN DESTINATION ${CMAKE_INSTALL_PREFIX}/clu
      set (boot_lam "")
   endif()
 
+  if (UNRES_SRUN)
+   set (np "-n")
+   set (mpiexec "srun")
+  else()
+   set (np "-np")
+   set (mpiexec "mpiexec")
+  endif()
+
 
 FILE(WRITE ${CMAKE_CURRENT_BINARY_DIR}/scripts/cluster_wham_mpi_E0LL2Y.sh
 "#!/bin/sh
@@ -215,7 +223,7 @@ export SIDEP=$DD/contact.3.parm
 export SCRATCHDIR=.
 #-----------------------------------------------------------------------------
 echo CTEST_FULL_OUTPUT
-mpiexec ${boot_lam} -np $2 $CLUSTER_WHAM_BIN 
+${mpiexec} ${boot_lam} ${np} $2 $CLUSTER_WHAM_BIN 
 ./cluster_wham_check.sh $1 
 ")