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checkgrad after minim with return code <> 4
[unres.git]
/
source
/
wham
/
src
/
CMakeLists.txt
diff --git
a/source/wham/src/CMakeLists.txt
b/source/wham/src/CMakeLists.txt
index
42b9602
..
5d3ebe3
100644
(file)
--- a/
source/wham/src/CMakeLists.txt
+++ b/
source/wham/src/CMakeLists.txt
@@
-256,6
+256,9
@@
install(TARGETS UNRES_WHAM_BIN DESTINATION ${CMAKE_INSTALL_PREFIX}/wham)
if (UNRES_SRUN)
set (np "-n")
set (mpiexec "srun")
+ elseif(UNRES_MPIRUN)
+ set (np "-np")
+ set (mpiexec "mpirun")
else()
set (np "-np")
set (mpiexec "mpiexec")