Try to install it without the sudo thing:
make install
Regards!
Gera!
El dom., 2 de feb. de 2020 01:19, Bisignano, Paola <Paola.Bisignano.ucsf.edu>
escribió:
> 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
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> >
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Received on Sat Feb 01 2020 - 21:00:01 PST
