[gmx-users] Error in mdrun

Roshan Shrestha roshanpra at gmail.com
Sun Apr 24 14:07:19 CEST 2016


How to turn off that option ? I mean, the error cam up when I typed

gmx mdrun -deffnm em -v

So, what should command I use to turn off that option. Thanks


On Sun, Apr 24, 2016 at 5:00 PM, Roshan Shrestha <roshanpra at gmail.com>
wrote:

> My CPU configuration is rather too old,
> Architecture:          i686
> CPU op-mode(s):        32-bit, 64-bit
> Byte Order:            Little Endian
> CPU(s):                2
> On-line CPU(s) list:   0,1
> Thread(s) per core:    1
> Core(s) per socket:    2
> Socket(s):             1
> Vendor ID:             GenuineIntel
> CPU family:            6
> Model:                 15
> Model name:            Intel(R) Core(TM)2 Duo CPU     E6750  @ 2.66GHz
> Stepping:              11
> CPU MHz:               2003.000
> CPU max MHz:           2670.0000
> CPU min MHz:           2003.0000
> BogoMIPS:              5333.10
> Virtualization:        VT-x
> L1d cache:             32K
> L1i cache:             32K
> L2 cache:              4096K
> I installed Gromacs 5.0.6, but while running mdrun, I got the error:
> Program gmx, VERSION 5.0.6
> Source code file:
> /build/gromacs-yTV9IQ/gromacs-5.0.6/src/gromacs/gmxlib/gmx_detect_hardware.c,
> line: 212
>
> Fatal error:
> The gmx 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
>
> How to solve this problem ? Thanks.
>


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