[AMBER] Problems with amber24 installation

From: Elvis Martis via AMBER <amber.ambermd.org>
Date: Fri, 3 May 2024 12:28:29 +0200

Dear All
We are facing issues with compiling amber with the following errors:
"

*Fatal Error:* Cannot open module file '*rmsd_mod.mod*' for reading at *(1)*:
No such file or directory

compilation terminated.

make[2]: *** [src/pmemd/src/CMakeFiles/pmemd_obj_cuda.dir/build.make:974:
src/pmemd/src/CMakeFiles/pmemd_obj_cuda.dir/master_setup.F90.o] Error 1

make[1]: *** [CMakeFiles/Makefile2:7363:
src/pmemd/src/CMakeFiles/pmemd_obj_cuda.dir/all] Error 2

make: *** [Makefile:156: all] Error 2

"



Here are the cmake arguments:

cmake .. -DCMAKE_INSTALL_PREFIX=/home/martis-e.univ-nantes.fr/bin/amber/24
-DCOMPILER=GNU -DMPI=TRUE -DCUDA=TRUE -DDOWNLOAD_MINICONDA=FALSE
-DBUILD_QUICK=FALSE -DAPPLY_UPDATES=FALSE -DDISABLE_TOOLS="pysander"
-DBUILD_PYTHON=FALSE

    2>&1 | tee cmake.log


PS: We are trying to compile without Python due to issues with Python
libraries on the HPC.


Also, attaching the cmake.log here


Thank you very much


Best Regards
Elvis


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Received on Fri May 03 2024 - 03:30:02 PDT
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