X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc%2FCMakeLists.txt;fp=source%2Fwham%2Fsrc%2FCMakeLists.txt;h=979e78afc6c54b2784ee91722fcb4a91fb47519b;hb=d635b1b4a9826a8cac0a4a20eff8c83465800187;hp=b58dda7075b78792aab371461a3abbfb52e7e358;hpb=a22483ce85fe98de5320d19c0867c344245394a0;p=unres.git

diff --git a/source/wham/src/CMakeLists.txt b/source/wham/src/CMakeLists.txt
index b58dda7..979e78a 100644
--- a/source/wham/src/CMakeLists.txt
+++ b/source/wham/src/CMakeLists.txt
@@ -252,6 +252,14 @@ install(TARGETS UNRES_WHAM_BIN DESTINATION ${CMAKE_INSTALL_PREFIX}/wham)
      set (boot_lam "")
   endif()
 
+  if (UNRES_SRUN)
+   set (np "-n")
+   set (mpiexec "srun")
+  else()
+   set (np "-np")
+   set (mpiexec "mpiexec")
+  endif()
+
 
 FILE(WRITE ${CMAKE_CURRENT_BINARY_DIR}/scripts/wham_mpi_E0LL2Y.sh
 "#!/bin/sh
@@ -279,7 +287,7 @@ export SIDEP=$DD/contact.3.parm
 export SCRATCHDIR=.
 #-----------------------------------------------------------------------------
 echo CTEST_FULL_OUTPUT
-mpiexec ${boot_lam} -np $2 $WHAM_BIN 
+${mpiexec} ${boot_lam} ${np} $2 $WHAM_BIN 
 ./wham_check.sh $1 
 ")