[gmx-users] trap invalid opcode

[Schulz, Roland]

Hi,

This is usually caused by compiling for a different architecture than you are running on. Make sure that the setting for GMX_SIMD is matching what the compute node is.

Roland


Date: Mon, 28 Jan 2019 14:22:39 +0000 (UTC)

From: Michael Brunsteiner <mbx0009 at yahoo.com<mailto:mbx0009 at yahoo.com>>

To: Gmx Users <gmx-users at gromacs.org<mailto:gmx-users at gromacs.org>>

Subject: [gmx-users] trap invalid opcode

Message-ID: <1633317768.2254503.1548685359517 at mail.yahoo.com<mailto:1633317768.2254503.1548685359517 at mail.yahoo.com>>

Content-Type: text/plain; charset=UTF-8



Hi



running a gmx job on a newly set-up debian-buster, with intel i7-3820 CPU, and one Nvidia 1060 GTX-6Gb architecture, the job dies without further notice, nothing in log file, nor in stdout/stderr ...however in /var/syslogi find exactly at the time when gromacs stops this message:



Jan 26 23:42:39 rcpepc00609 kernel: [319870.261302] traps: gmx[21360] trap invalid opcode ip:7f68a6ef9ce5 sp:7f68937fddb0 error:0 in libgromacs.so.3.5.0[7f68a6418000+13a4000]

this is gmx-2018.5 on `uname -a`

Linux rcpepc00609 4.19.0-1-amd64 #1 SMP Debian 4.19.12-1 (2018-12-22) x86_64 GNU/Linux gromacs was compiled with:

CC=gcc-7 CXX=g++-7 cmake .. -DGMX_BUILD_OWN_FFTW=on -DGMX_GPU=on nivida driver version is 410.78 and cuda toolkit version is 10.0.130



anybody seen this before or some idea whence this error comes?

thanks!!mic