Re: [gmx-users] Install Gromacs on VirtualBox

Hi, Unfortunately that does not tell much (at least not without a backtrace). You can e.g. run the regressiontests to see whether mdrun does start at all (or just run "gmx mdrun" manually). -- Szilárd On Tue, Oct 6, 2015 at 4:06 PM, Simon Dürr wrote: > Hi Szilard,

Re: [gmx-users] Install Gromacs on VirtualBox

Hi Szilard, thanks for the help. Now only 1 of 15 tests fails. > Label Time Summary: > GTest = 4.92 sec > IntegrationTest= 4.05 sec > UnitTest = 4.92 sec > Total Test time (real) = 9.18 sec > The following tests FAILED: > 15 - MdrunTests (SEGFAULT) > Errors

Re: [gmx-users] Install Gromacs on VirtualBox

Oh, that was easy, should have asked about what the value of "GMX_SIMD" is in the CMake cache. Given that the GROMACS build system enabled AVX2 SIMD on your VM which seems to not support anything above SSE2, it's not a surprise that the first math instruction crashes the run. Immediate solution:

Re: [gmx-users] Install Gromacs on VirtualBox

After running make check I can install via sudo make install. gmx --version returns: http://pastebin.com/Gnx09wah The CMakeCache file is the following: http://pastebin.com/9wb0e1tw Cheers, Simon 2015-10-02 17:58 GMT-04:00 Szilárd Páll : > Should have asked for the

Re: [gmx-users] Install Gromacs on VirtualBox

Hi, Can you share the CPUID flags shown in /proc/cpuinfo? -- Szilárd On Thu, Oct 1, 2015 at 7:03 PM, Simon Dürr wrote: > I used this: > > > cmake .. -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=OFF > -DGMX_USE_RDTSCP=OFF > > But Still: > Test project

Re: [gmx-users] Install Gromacs on VirtualBox

Should have asked for the CMakeCache file too, could you post that to a file sharing service? If you happen to have GMX_SIMD other than SSE2, that would explain the issue - although I can't imagine why would the instruction set detection fail. Do you get an "illegal instruction" error if you

Re: [gmx-users] Install Gromacs on VirtualBox

Sure. >cat /proc/cpuinfo > > processor : 0 > vendor_id : GenuineIntel > cpu family : 6 > model : 69 > model name : Intel(R) Core(TM) i7-4550U CPU @ 1.50GHz > stepping : 1 > microcode : 0x19 > cpu MHz : 2095.205 > cache size : 6144 KB > physical id : 0 > siblings : 1 > core id : 0 > cpu cores : 1

Re: [gmx-users] Install Gromacs on VirtualBox

My guess is that you need to turn off RDTSCP: http://www.gromacs.org/Documentation/Installation_Instructions_5.0#portability-aspects -- Szilárd On Thu, Oct 1, 2015 at 4:36 PM, Simon Dürr wrote: > I have problems installing Gromacs on a VirtualBox machine. > >

Re: [gmx-users] Install Gromacs on VirtualBox

I used this: > cmake .. -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=OFF > -DGMX_USE_RDTSCP=OFF But Still: Test project /home/simon/gromacs-5.0.6/build Start 1: TestUtilsUnitTests 1/15 Test #1: TestUtilsUnitTests ...***Exception: Illegal 0.29 sec Start 2: