added MPI ctest for unres single MD
authorDawid Jagiela <lightnir@chem.univ.gda.pl>
Tue, 5 Jun 2012 09:28:33 +0000 (11:28 +0200)
committerDawid Jagiela <lightnir@chem.univ.gda.pl>
Tue, 5 Jun 2012 09:28:33 +0000 (11:28 +0200)
source/unres/src_MD/CMakeLists.txt

index 43de88d..1f42622 100644 (file)
@@ -117,7 +117,6 @@ set(UNRES_MD_PP_SRC
        MP.F 
        MREMD.F 
        parmread.F 
-       prng_32.F 
        q_measure1.F 
        q_measure3.F 
        q_measure.F
@@ -354,9 +353,12 @@ XAAAAAAAAAAX
 # Add tests
 
 if(NOT UNRES_WITH_MPI)
-
+                  
   add_test(NAME UNRES_MD_Ala10 COMMAND sh ${CMAKE_CURRENT_BINARY_DIR}/test_single_ala.sh )
 
+else(NOT UNRES_WITH_MPI)
+
+  add_test(NAME UNRES_MD_MPI_Ala10 COMMAND mpirun -np 1 ${CMAKE_CURRENT_BINARY_DIR}/test_single_ala.sh )
 
 endif(NOT UNRES_WITH_MPI)