X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2FCMakeLists.txt;h=af383025fcef0f321d660b968fb3f7616b7a98ac;hb=393df3072295fbcf1bd8aeb2a9a206c1e1dde94a;hp=e13e535b49444660a061a7c2b0e77bb2e07cd7dd;hpb=40861d754229b6858ca997cebffbc084b5840e51;p=unres.git

diff --git a/source/unres/src_MD/CMakeLists.txt b/source/unres/src_MD/CMakeLists.txt
index e13e535..af38302 100644
--- a/source/unres/src_MD/CMakeLists.txt
+++ b/source/unres/src_MD/CMakeLists.txt
@@ -482,6 +482,15 @@ FILE(	COPY ${CMAKE_CURRENT_BINARY_DIR}/scripts/test_prota_E0LL2Y.sh
 	FILE_PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE
 )
 
+#  MESSAGE (STATUS "${MPI_Fortran_LIBRARIES}")
+  if ("${MPI_Fortran_LIBRARIES}"  MATCHES "lam")
+     MESSAGE (STATUS "LAM MPI library detected")
+     set (boot_lam "-boot")
+  else()
+     set (boot_lam "")
+  endif()
+
+
 FILE(WRITE ${CMAKE_CURRENT_BINARY_DIR}/scripts/test_mpi_E0LL2Y.sh
 "#!/bin/sh
 export POT=GB
@@ -506,7 +515,7 @@ export ROTPARPDB=$DD/scgauss.parm
 export PATTERN=$DD/patterns.cart
 #-----------------------------------------------------------------------------
 echo CTEST_FULL_OUTPUT
-mpiexec -np $3 $UNRES_BIN | grep -v traj1file
+mpiexec ${boot_lam} -np $3 $UNRES_BIN | grep -v traj1file
 ./prota_unres_energy_check.sh $1 ${UNRES_BIN}
 ")
 
@@ -545,13 +554,6 @@ if(NOT UNRES_WITH_MPI)
 
 else(NOT UNRES_WITH_MPI)
 
-#  MESSAGE (STATUS "${MPI_Fortran_LIBRARIES}")
-  if ("${MPI_Fortran_LIBRARIES}"  MATCHES "lam")
-     MESSAGE (STATUS "LAM MPI library detected")
-     set (boot_lam "-boot")
-  else()
-     set (boot_lam "")
-  endif()
 
   if(UNRES_MD_FF STREQUAL "GAB")
     add_test(NAME UNRES_MD_MPI_Ala10 COMMAND mpiexec ${boot_lam} ${CMAKE_CURRENT_BINARY_DIR}/test_single_ala.sh )