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