Hi Elvis,
I already had that before compiling.
Paola Bisignano, Ph.D.
postdoctoral research associate
Department of Pharmaceutical Chemistry
Cardiovascular Research Institute
University of California, San Francisco
________________________________
From: Elvis Martis <elvis_bcp.elvismartis.in>
Sent: Saturday, February 1, 2020 8:17 PM
To: AMBER Mailing List <amber.ambermd.org>
Subject: Re: [AMBER] installation of amber 18 failed - CUDA_HOME not set (although not true)
try to add the CUDA_HOME=/usr/local/cuda10-2 in your .bashrc file and
compile again.
Best Regards
On Sun, 2 Feb 2020 at 09:42, Bisignano, Paola <Paola.Bisignano.ucsf.edu>
wrote:
> 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 - 20:30:03 PST
