ctest checkgrad_dfa fgproc=2

[unres.git] / source / unres / src-HCD-5D / CMakeLists.txt

diff --git a/source/unres/src-HCD-5D/CMakeLists.txt b/source/unres/src-HCD-5D/CMakeLists.txt
index 78c1f25..1cbe55b 100644 (file)
--- a/source/unres/src-HCD-5D/CMakeLists.txt
+++ b/source/unres/src-HCD-5D/CMakeLists.txt
@@ -69,7 +69,7 @@ set(UNRES_MDM_SRC0
         ran.f
         randgens.f 
         rattle.F 
-        readpdb.F
+        readpdb-mult.F
         readrtns_CSA.F 
         refsys.f 
         regularize.F
@@ -147,7 +147,7 @@ set(UNRES_MDM_PP_SRC
        q_measure.F
        ran.f
        rattle.F 
-       readpdb.F 
+       readpdb-mult.F 
        readrtns_CSA.F 
        regularize.F
        rmdd.f 
@@ -379,6 +379,8 @@ endif(UNRES_WITH_MPI)
 # link libxdrf.a 
 #message("UNRES_XDRFLIB=${UNRES_XDRFLIB}")
 target_link_libraries( UNRES_BIN-MD-M xdrf )
+#
+set(CMAKE_EXE_LINKER_FLAGS "${CMAKE_EXE_LINKER_FLAGS} -mcmodel=medium -shared-intel")
 
 #=========================================
 # Install Path
@@ -1210,6 +1212,7 @@ else(NOT UNRES_WITH_MPI)
         DESTINATION ${CMAKE_CURRENT_BINARY_DIR}/dfa
         FILE_PERMISSIONS OWNER_READ OWNER_WRITE OWNER_EXECUTE GROUP_READ GROUP_EXECUTE WORLD_READ WORLD_EXECUTE )
      add_test(NAME UNRES_CHECKGRAD1_dfa COMMAND ${mpiexec} ${boot_lam} ${np} 1 ${CMAKE_CURRENT_BINARY_DIR}/test_prota_E0LL2Y.sh checkgrad_dfa 1 WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}/dfa)
+     add_test(NAME UNRES_CHECKGRAD2_dfa COMMAND ${mpiexec} ${boot_lam} ${np} 2 ${CMAKE_CURRENT_BINARY_DIR}/test_prota_E0LL2Y.sh checkgrad_dfa 1 WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}/dfa)
      add_test(NAME UNRES_remd_dfa COMMAND sh ${CMAKE_CURRENT_BINARY_DIR}/dfa/test_mpi_E0LL2Y.sh remd_dfa 1 8 WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}/dfa )
     endif()