Hi,
I am trying to install amber18 and after the successful configure step, I got the make install to fail due to the CUDA_HOME not set.
I have the cuda env set in my bashrc and I have sourced that file.
I also have added the env into the amber.sh file which I sourced before running the make install. I am keep getting the same error which is telling me that the cuda env is not set.
below is the content of my amber.sh file
export AMBER_PREFIX="/home/paola/softwares/amber18"
export PATH="${AMBER_PREFIX}/bin:${PATH}"
export CUDA_HOME=/usr/local/cuda-10.2
export PATH="${CUDA_HOME}/bin:${PATH}"
# Add location of Amber Python modules to default Python search path
if [ -z "$PYTHONPATH" ]; then
export PYTHONPATH="${AMBER_PREFIX}/lib/python/site-packages"
else
export PYTHONPATH="${AMBER_PREFIX}/lib/python/site-packages:${PYTHONPATH}"
fi
if [ -z "${LD_LIBRARY_PATH}" ]; then
export LD_LIBRARY_PATH="${AMBER_PREFIX}/lib"
else
export LD_LIBRARY_PATH="${AMBER_PREFIX}/lib:${LD_LIBRARY_PATH}"
fi
~
Here is what I get
[paola.localhost amber18]$ echo $CUDA_HOME
/usr/local/cuda-10.2
[paola.localhost amber18]$ sudo make install
[sudo] password for paola:
cd /home/paola/softwares/amber18/AmberTools/src && make install
make[1]: Entering directory '/home/paola/softwares/amber18/AmberTools/src'
(cd arpack && make install )
make[2]: Entering directory '/home/paola/softwares/amber18/AmberTools/src/arpack'
make[2]: Nothing to be done for 'install'.
make[2]: Leaving directory '/home/paola/softwares/amber18/AmberTools/src/arpack'
(cd lapack && make install )
make[2]: Entering directory '/home/paola/softwares/amber18/AmberTools/src/lapack'
make[2]: Nothing to be done for 'install'.
make[2]: Leaving directory '/home/paola/softwares/amber18/AmberTools/src/lapack'
(cd blas && make install )
make[2]: Entering directory '/home/paola/softwares/amber18/AmberTools/src/blas'
make[2]: Nothing to be done for 'install'.
make[2]: Leaving directory '/home/paola/softwares/amber18/AmberTools/src/blas'
(cd pbsa && make clean && make -j1 install )
make[2]: Entering directory '/home/paola/softwares/amber18/AmberTools/src/pbsa'
/bin/rm -f pbsa libpbsa.a
/bin/rm -f *.o
/bin/rm -f *.mod *__genmod.F90
/bin/rm -f *.d
make[2]: Leaving directory '/home/paola/softwares/amber18/AmberTools/src/pbsa'
make[2]: Entering directory '/home/paola/softwares/amber18/AmberTools/src/pbsa'
Error: CUDA_HOME is not set. This must point to your NVIDIA tools installation
make[2]: *** [Makefile:118: configured_cuda] Error 2
make[2]: Leaving directory '/home/paola/softwares/amber18/AmberTools/src/pbsa'
make[1]: *** [Makefile:447: cuda_serial] Error 2
make[1]: Leaving directory '/home/paola/softwares/amber18/AmberTools/src'
make: *** [Makefile:7: install] Error 2
Can you please help me figuring this out, because I did not find any solution browsing into the former post about the same problem, since in my case I also added the cuda env in the amber.sh and it did not help the outcome.
Best,
Paola
Paola Bisignano, Ph.D.
postdoctoral research associate
Department of Pharmaceutical Chemistry
Cardiovascular Research Institute
University of California, San Francisco
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Received on Sat Feb 01 2020 - 20:30:01 PST
