Re: [gmx-users] Gromacs installation fails in CentOS 6.5

Good that it worked out. You might have changes something in your environment (path?) perhaps between last time and now. On Fri, Jul 7, 2017 at 10:57 PM, Seyed Mostafa Razavi wrote: > Strangely enough, I could install this time,and I do not know why. I > followed exact

Re: [gmx-users] Gromacs installation fails in CentOS 6.5

Strangely enough, I could install this time,and I do not know why. I followed exact same procedure except running make VERBOSE=1 Btw, here is the libgromacs_LIB_DEPENDS line in CMakeCache.txt if you want to know: libgromacs_LIB_DEPENDS:STATIC=general;/usr/lib64/libz.so;gen

Re: [gmx-users] Gromacs installation fails in CentOS 6.5

Strange. That means the GROAMCS build system somehow does not get the final link command right. Without investigating deeper, I'm not sure what would be the solution. I'd look a the actual link command that fails (make VERBOSE=1) and try to see what and why is missing. BTW, cmake should know

Re: [gmx-users] Gromacs installation fails in CentOS 6.5

Here is what I did: $ gcc -o omp_helloc -fopenmp omp_hello.c $ ./omp_helloc Hello World from thread = 0 Number of threads = 4 Hello World from thread = 3 Hello World from thread = 1 Hello World from thread = 2 Thank you, S. Mostafa Razavi On Fri, Jul 7, 2017 at 9:12 AM, Szilárd Páll

Re: [gmx-users] Gromacs installation fails in CentOS 6.5

Hi, That looks weird. Can you compile a sample OpenMP code, e.g. this https://computing.llnl.gov/tutorials/openMP/samples/C/omp_hello.c -- Szilárd On Fri, Jul 7, 2017 at 11:59 AM, Seyed Mostafa Razavi wrote: > Hello, > > I'm trying to install Gromacs (gromacs-2016.3) on

[gmx-users] Gromacs installation fails in CentOS 6.5

Hello, I'm trying to install Gromacs (gromacs-2016.3) on my CentOS 6.5 system. I exactly follow the installation instruction in http://manual.gromacs.org/ documentation/2016.3/install-guide/index.html. After I run "make", the installation process starts and proceeds to %97, then it gives me an