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added MPI ctest for unres single MD
author
Dawid Jagiela
<lightnir@chem.univ.gda.pl>
Tue, 5 Jun 2012 09:28:33 +0000
(11:28 +0200)
committer
Dawid Jagiela
<lightnir@chem.univ.gda.pl>
Tue, 5 Jun 2012 09:28:33 +0000
(11:28 +0200)
source/unres/src_MD/CMakeLists.txt
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diff --git
a/source/unres/src_MD/CMakeLists.txt
b/source/unres/src_MD/CMakeLists.txt
index
43de88d
..
1f42622
100644
(file)
--- a/
source/unres/src_MD/CMakeLists.txt
+++ b/
source/unres/src_MD/CMakeLists.txt
@@
-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)