[gmx-users] Error while installing GROMACS-2018-rc1

[Yongchul Chung]

Thanks, I have successfully installed the release-2018 version of GROMACS
on Macbook Pro 2017 HighSierra.


On Tue, Jan 2, 2018 at 1:43 PM, Mark Abraham <mark.j.abraham at gmail.com>
wrote:

> Hi,
>
> Thanks, we have found and prepared a fix for an issue that looks very
> similar (https://gerrit.gromacs.org/#/c/7400). Apparently the Mac OpenCL
> compilation cannot tolerate any extra spaces in the command used to compile
> the kernels used on the device.
>
> You could either compile GROMACS without OpenCL support for now, or if you
> would like to see if we have fixed the issue for you, that link enables you
> to download a tarball that contains the fix! We'd love to hear that it
> works.
>
> Mark
>
> On Mon, Jan 1, 2018, 20:05 Yongchul Chung <chung at northwestern.edu> wrote:
>
> > I am trying to install the latest GROMACS on Macbook Pro 2017 15-inch
> (High
> > Sierra) and got the following error message when issuing "make" command
> > during the installation steps.
> >
> > My command for cmake was: cmake .. -DGMX_BUILD_OWN_FFTW=ON
> > -DREGRESSIONTEST_DOWNLOAD=ON -DGMX_GPU=ON -DGMX_USE_OPENCL=ON
> >
> > Thanks in advance for the help.
> >
> > [ 91%] Building CXX object
> >
> > src/gromacs/CMakeFiles/libgromacs.dir/mdlib/nbnxn_
> ocl/nbnxn_ocl_data_mgmt.cpp.o
> >
> > In file included from
> >
> > /Users/ygchung/Desktop/codes/gromacs-2018-rc1/src/gromacs/
> mdlib/nbnxn_ocl/nbnxn_ocl_data_mgmt.cpp:54:
> >
> > In file included from
> >
> > /Users/ygchung/Desktop/codes/gromacs-2018-rc1/src/gromacs/
> gpu_utils/oclutils.h:46:
> >
> > In file included from
> >
> > /Users/ygchung/Desktop/codes/gromacs-2018-rc1/src/gromacs/
> gpu_utils/gmxopencl.h:61:
> >
> > In file included from
> > /System/Library/Frameworks/OpenCL.framework/Headers/opencl.h:16:
> >
> > In file included from
> > /System/Library/Frameworks/OpenCL.framework/Headers/gcl.h:23:
> >
> > */usr/include/dispatch/dispatch.h:38:45: **error: **expected value in
> > expression*
> >
> > #if !defined(HAVE_UNISTD_H) || HAVE_UNISTD_H
> >
> > *                                            ^*
> >
> > 1 error generated.
> >
> > make[2]: ***
> >
> > [src/gromacs/CMakeFiles/libgromacs.dir/mdlib/nbnxn_
> ocl/nbnxn_ocl_data_mgmt.cpp.o]
> > Error 1
> >
> > make[1]: *** [src/gromacs/CMakeFiles/libgromacs.dir/all] Error 2
> >
> > make: *** [all] Error 2
> > --
> > Gromacs Users mailing list
> >
> > * Please search the archive at
> > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> > posting!
> >
> > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> >
> > * For (un)subscribe requests visit
> > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> > send a mail to gmx-users-request at gromacs.org.
> >
> --
> Gromacs Users mailing list
>
> * Please search the archive at http://www.gromacs.org/
> Support/Mailing_Lists/GMX-Users_List before posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.
>