Dear Experts,
I am trying to install amber22 in Cuda. I do the following steps.
module load compiler/cuda/11.2, module load compiler/cmake/3.15.4, module
load compiler/gcc/8.3.0.
But After compiling the run cmake file like
./run cmake
I show the following cmake error. (After deletion of plumed)
My run cmake file is like the one below.
cmake $AMBER_PREFIX/amber22_src \
-DCMAKE_INSTALL_PREFIX=$AMBER_PREFIX/amber22 \
-DCOMPILER=GNU -DUSE_CONDA_LIBS=TRUE -DFORCE_INTERNAL_LIBS=arpack \
-DMPI=FALSE -DCUDA=TRUE -DINSTALL_TESTS=TRUE \
-DDOWNLOAD_MINICONDA=FALSE -DBUILD_QUICK=TRUE \
2>&1 | tee cmake.log
I have also attached the cmake.log file.
Thanking You
--
*With regards,*
*Dulal Mondal,*
*Research Scholar,*
*Department of Chemistry,*
*IIT Kharagpur, Kharagpur 721302.*
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Dec 11 2023 - 00:30:02 PST
