X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Fwham%2Fsrc-M%2FCMakeLists.txt;h=45f3d94d73bb01668f3d0d15b270b783a2ecb5e4;hb=1a9058a1488be00c45f5d96cf77e28420d0a30c4;hp=37633253d7179f3674e4370fe35a2b71cc489191;hpb=73fb90f4d27c3246d65952b4566ada23fa81ec89;p=unres.git

diff --git a/source/wham/src-M/CMakeLists.txt b/source/wham/src-M/CMakeLists.txt
index 3763325..45f3d94 100644
--- a/source/wham/src-M/CMakeLists.txt
+++ b/source/wham/src-M/CMakeLists.txt
@@ -61,6 +61,7 @@ set(UNRES_WHAM_M_SRC0
 	proc_cont.f
 	define_pairs.f
 	mysort.f
+        ssMD.F
 )
 
 set(UNRES_WHAM_M_PP_SRC
@@ -255,6 +256,9 @@ install(TARGETS UNRES_WHAM_M_BIN DESTINATION ${CMAKE_INSTALL_PREFIX}/wham)
   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")