[gmx-users] Error in mdrun

Roshan Shrestha roshanpra at gmail.com
Sun Apr 24 13:15:33 CEST 2016


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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