X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fcluster%2Fwham%2Fsrc-M%2FCMakeLists.txt;h=a230f1e3d1d5a4bff37cbf4f2965b7be552126de;hb=20719f6c7872b3989ffa46371f1621ff012dd344;hp=b911074756a25774b4b8ade14516b06189090a5a;hpb=73fb90f4d27c3246d65952b4566ada23fa81ec89;p=unres.git

diff --git a/source/cluster/wham/src-M/CMakeLists.txt b/source/cluster/wham/src-M/CMakeLists.txt
index b911074..a230f1e 100644
--- a/source/cluster/wham/src-M/CMakeLists.txt
+++ b/source/cluster/wham/src-M/CMakeLists.txt
@@ -37,6 +37,7 @@ set(UNRES_CLUSTER_WHAM_M_SRC0
 	rescode.f
 	setup_var.f
 	srtclust.f
+    ssMD.F
 	timing.F
 	track.F
 	wrtclust.f
@@ -52,6 +53,7 @@ set(UNRES_CLUSTER_WHAM_M_PP_SRC
 	probabl.F
 	read_coords.F
 	readrtns.F
+    ssMD.F
 	timing.F
 	track.F
 	work_partition.F
@@ -62,7 +64,7 @@ set(UNRES_CLUSTER_WHAM_M_PP_SRC
 # Set comipiler flags for different sourcefiles  
 #================================================
 if (Fortran_COMPILER_NAME STREQUAL "ifort")
-  set(FFLAGS0 "-ip -w -I. -I${CMAKE_CURRENT_SOURCE_DIR}/include_unres"  ) 
+  set(FFLAGS0 "-mcmodel=medium -shared-intel -ip -w -I. -I${CMAKE_CURRENT_SOURCE_DIR}/include_unres"  ) 
 elseif (Fortran_COMPILER_NAME STREQUAL "gfortran")
   set(FFLAGS0 "-std=legacy -I. -I${CMAKE_CURRENT_SOURCE_DIR}/include_unres" ) 
 else ()
@@ -222,6 +224,9 @@ install(TARGETS UNRES_CLUSTER_WHAM_M_BIN DESTINATION ${CMAKE_INSTALL_PREFIX}/clu
   if (UNRES_SRUN)
    set (np "-n")
    set (mpiexec "srun")
+  elseif(UNRES_MPIRUN)
+   set (np "-np")
+   set (mpiexec "mpirun")
   else()
    set (np "-np")
    set (mpiexec "mpiexec")