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Docker for MAC RDTSCP instructions #10

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PauAndrio opened this issue Nov 12, 2020 · 1 comment
Open

Docker for MAC RDTSCP instructions #10

PauAndrio opened this issue Nov 12, 2020 · 1 comment
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@PauAndrio
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Since the las versión of GROMACS docker for MAC this error is ocurring.

Status: Downloaded newer image for gromacs/gromacs:latest
:-) GROMACS - gmx mdrun, 2020.1 (-:

Executable: /gromacs/bin.AVX2_256/bin/gmx
Data prefix: /gromacs/bin.AVX2_256
Working dir: /
Command line:
gmx -nobackup -nocopyright mdrun -s /inout/mdrun.tpr -o /inout/output_trr_path.trr -c /inout/output_gro_path.gro -e /inout/output_edr_path.edr -g /inout/output_log_path.log


Program: gmx mdrun, version 2020.1
Source file: src/gromacs/hardware/printhardware.cpp (line 109)

Fatal error:
The gmx mdrun executable was compiled to use the rdtscp CPU instruction.
However, this is not supported by the current hardware and continuing would
lead to a crash. Please rebuild GROMACS with the GMX_USE_RDTSCP=OFF CMake
option.

For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors

I volunteer to test the new versions if needed.

Regards,
Pau Andrio

@mabraham
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GROMACS behavior here hasn't changed for many versions, so either Docker isn't passing the availability of this instruction through, or it isn't available in the hardware (eg ancient mac mini).

To cope, rebuild as advised

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