X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2FCMakeLists.txt;h=d0758db15c79a25ab3c739cafc3577044a29642e;hb=8d360cbf806edd2d65198edb005954ddc46cca01;hp=77d4834f98ecf0fc82e50ada0fbf442958490962;hpb=448d3fa03a35e72321187b33bbc3a05b2ba01b3a;p=unres.git diff --git a/source/unres/src_MD/CMakeLists.txt b/source/unres/src_MD/CMakeLists.txt index 77d4834..d0758db 100644 --- a/source/unres/src_MD/CMakeLists.txt +++ b/source/unres/src_MD/CMakeLists.txt @@ -394,6 +394,13 @@ FILE(COPY ${CMAKE_SOURCE_DIR}/ctest/prota_MIN_CART.inp FILE(COPY ${CMAKE_SOURCE_DIR}/ctest/1l2y_micro.inp DESTINATION ${CMAKE_CURRENT_BINARY_DIR} ) +FILE(COPY ${CMAKE_SOURCE_DIR}/ctest/1l2y_MIN_INT.inp + DESTINATION ${CMAKE_CURRENT_BINARY_DIR} ) + +FILE(COPY ${CMAKE_SOURCE_DIR}/ctest/1l2y_MIN_REGULAR_INT.inp + DESTINATION ${CMAKE_CURRENT_BINARY_DIR} ) + + FILE(COPY ${CMAKE_SOURCE_DIR}/ctest/1L2Y.pdb DESTINATION ${CMAKE_CURRENT_BINARY_DIR} ) @@ -457,6 +464,8 @@ if(NOT UNRES_WITH_MPI) if(UNRES_MD_FF STREQUAL "E0LL2Y") add_test(NAME UNRES_ENE_prota COMMAND sh ${CMAKE_CURRENT_BINARY_DIR}/test_prota_E0LL2Y.sh prota_ENE 1 ) add_test(NAME UNRES_MIN_prota COMMAND sh ${CMAKE_CURRENT_BINARY_DIR}/test_prota_E0LL2Y.sh prota_MIN_CART 1 ) + add_test(NAME UNRES_MIN_INT COMMAND sh ${CMAKE_CURRENT_BINARY_DIR}/test_prota_E0LL2Y.sh 1l2y_MIN_INT 1 ) + add_test(NAME UNRES_REGULAR COMMAND sh ${CMAKE_CURRENT_BINARY_DIR}/test_prota_E0LL2Y.sh 1l2y_MIN_REGULAR_INT 1 ) add_test(NAME UNRES_MD_microcanonical COMMAND sh ${CMAKE_CURRENT_BINARY_DIR}/test_prota_E0LL2Y.sh 1l2y_micro 1 ) endif(UNRES_MD_FF STREQUAL "E0LL2Y") @@ -469,6 +478,8 @@ else(NOT UNRES_WITH_MPI) if(UNRES_MD_FF STREQUAL "E0LL2Y") add_test(NAME UNRES_ENE_prota COMMAND mpiexec -boot -np 2 ${CMAKE_CURRENT_BINARY_DIR}/test_prota_E0LL2Y.sh prota_ENE 2 ) add_test(NAME UNRES_MIN_prota COMMAND mpiexec -boot -np 2 ${CMAKE_CURRENT_BINARY_DIR}/test_prota_E0LL2Y.sh prota_MIN_CART 2 ) + add_test(NAME UNRES_MIN_INT COMMAND mpiexec -boot -np 1 ${CMAKE_CURRENT_BINARY_DIR}/test_prota_E0LL2Y.sh 1l2y_MIN_INT 1 ) + add_test(NAME UNRES_REGULAR COMMAND mpiexec -boot -np 1 ${CMAKE_CURRENT_BINARY_DIR}/test_prota_E0LL2Y.sh 1l2y_MIN_REGULAR_INT 1 ) add_test(NAME UNRES_MD_microcanonical COMMAND mpiexec -boot -np 2 ${CMAKE_CURRENT_BINARY_DIR}/test_prota_E0LL2Y.sh 1l2y_micro 2 ) endif(UNRES_MD_FF STREQUAL "E0LL2Y")