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
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