if (MPI_Fortran_FOUND)
message("MPI found")
FIX_DBL_INCLUDE(MPI_Fortran_INCLUDE_PATH)
+ message(MPI_Fortran_INCLUDE_PATH)
+ message(${MPI_Fortran_INCLUDE_PATH})
+ message(MPI_Fortran_LIBRARIES)
+ message(${MPI_Fortran_LIBRARIES})
option(UNRES_SRUN "Use srun instead of mpiexec ?" OFF )
+ option(UNRES_MPIRUN "Use mpirun instead of mpiexec ?" OFF )
else()
message("MPI not found - disabling MPI compile flags ")
set ( UNRES_WITH_MPI "OFF")
# TESTS
#=========================================
+ if (UNRES_SRUN)
+ set (SRUN "srun")
+ else()
+ set (SRUN "")
+ endif()
+
+
# Create files needed for tests
# Test xdrf2pdb
-add_test(NAME XDRF2PDB-one COMMAND ${CMAKE_BINARY_DIR}/bin/xdrf2pdb one ala10one.seq ala10MD.cx )
-add_test(NAME XDRF2PDB-three COMMAND ${CMAKE_BINARY_DIR}/bin/xdrf2pdb three ala10three.seq ala10MD.cx )
+add_test(NAME XDRF2PDB-one COMMAND ${SRUN} ${CMAKE_BINARY_DIR}/bin/xdrf2pdb one ala10one.seq ala10MD.cx )
+add_test(NAME XDRF2PDB-three COMMAND ${SRUN} ${CMAKE_BINARY_DIR}/bin/xdrf2pdb three ala10three.seq ala10MD.cx )
# Test xdrf2pdb-m
-add_test(NAME XDRF2PDB-M-one COMMAND ${CMAKE_BINARY_DIR}/bin/xdrf2pdb-m one 1L2Yone.seq 1L2Y_MREMD_MD000.cx 32 30 )
-add_test(NAME XDRF2PDB-M-three COMMAND ${CMAKE_BINARY_DIR}/bin/xdrf2pdb-m three 1L2Ythree.seq 1L2Y_MREMD_MD000.cx 32 30 )
+add_test(NAME XDRF2PDB-M-one COMMAND ${SRUN} ${CMAKE_BINARY_DIR}/bin/xdrf2pdb-m one 1L2Yone.seq 1L2Y_MREMD_MD000.cx 32 30 )
+add_test(NAME XDRF2PDB-M-three COMMAND ${SRUN} ${CMAKE_BINARY_DIR}/bin/xdrf2pdb-m three 1L2Ythree.seq 1L2Y_MREMD_MD000.cx 32 30 )
# Test xdrf2ang
-add_test(NAME XDRF2ANG-one COMMAND ${CMAKE_BINARY_DIR}/bin/xdrf2ang one ala10one.seq ala10MD.cx )
-add_test(NAME XDRF2ANG-three COMMAND ${CMAKE_BINARY_DIR}/bin/xdrf2ang three ala10three.seq ala10MD.cx )
+add_test(NAME XDRF2ANG-one COMMAND ${SRUN} ${CMAKE_BINARY_DIR}/bin/xdrf2ang one ala10one.seq ala10MD.cx )
+add_test(NAME XDRF2ANG-three COMMAND ${SRUN} ${CMAKE_BINARY_DIR}/bin/xdrf2ang three ala10three.seq ala10MD.cx )