[gmx-users] gromacs from git source and openmm failed

[Rossen Apostolov]

  Hi,

Try it again with the latest release-4-5-branch, Erik added a lot of fixes.

Rossen

On 8/12/10 1:11 PM, Alan wrote:
> Hi there,
>
> I am trying now to compile mdrun-openmm, by doing:
>
> cmake -DGMX_OPENMM=ON ..
>
> make mdrun
>
> -- Threads not compatible with OpenMM build, disabled
> CMake Warning at CMakeLists.txt:127 (message):
>   The OpenMM build does not support other acceleration modes!
>
> -- Using internal FFT library - fftpack
> -- Loaded CMakeASM-ATTInformation - ASM-ATT support is still 
> experimental, please report issues
> -- Configuring done
> -- Generating done
> -- Build files have been written to: /Users/alan/Programmes/gromacs/build
> dhcp-128-232-144-215[2416]:~/Programmes/gromacs/build% make mdrun
> [  0%] Building NVCC (Device) object 
> src/kernel/gmx_gpu_utils/./gmx_gpu_utils_generated_memtestG80_core.cu.o
> [  1%] Building NVCC (Device) object 
> src/kernel/gmx_gpu_utils/./gmx_gpu_utils_generated_gmx_gpu_utils.cu.o
>
> ...
>
> And then I got this error:
>
> ...
> [ 56%] Building C object 
> src/gmxlib/CMakeFiles/gmx.dir/nonbonded/nb_kernel_x86_64_sse/nb_kernel400_x86_64_sse.c.o
> /Users/alan/Programmes/gromacs/src/gmxlib/nonbonded/nb_kernel_x86_64_sse/nb_kernel400_x86_64_sse.c: 
> In function ‘nb_kernel400nf_x86_64_sse’:
> /Users/alan/Programmes/gromacs/src/gmxlib/nonbonded/nb_kernel_x86_64_sse/nb_kernel400_x86_64_sse.c:630: 
> error: ‘gmx_invsqrt_exptab’ undeclared (first use in this function)
> /Users/alan/Programmes/gromacs/src/gmxlib/nonbonded/nb_kernel_x86_64_sse/nb_kernel400_x86_64_sse.c:630: 
> error: (Each undeclared identifier is reported only once
> /Users/alan/Programmes/gromacs/src/gmxlib/nonbonded/nb_kernel_x86_64_sse/nb_kernel400_x86_64_sse.c:630: 
> error: for each function it appears in.)
> /Users/alan/Programmes/gromacs/src/gmxlib/nonbonded/nb_kernel_x86_64_sse/nb_kernel400_x86_64_sse.c:630: 
> error: ‘gmx_invsqrt_fracttab’ undeclared (first use in this function)
> make[3]: *** 
> [src/gmxlib/CMakeFiles/gmx.dir/nonbonded/nb_kernel_x86_64_sse/nb_kernel400_x86_64_sse.c.o] 
> Error 1
> make[2]: *** [src/gmxlib/CMakeFiles/gmx.dir/all] Error 2
> make[1]: *** [src/kernel/CMakeFiles/mdrun.dir/rule] Error 2
> make: *** [mdrun] Error 2
>
> Thanks,
>
> Alan
>
> -- 
> Alan Wilter S. da Silva, D.Sc. - CCPN Research Associate
> Department of Biochemistry, University of Cambridge.
> 80 Tennis Court Road, Cambridge CB2 1GA, UK.
> >>http://www.bio.cam.ac.uk/~awd28 <http://www.bio.cam.ac.uk/%7Eawd28><<