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

[Mark Abraham]

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
> --
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