[gmx-users] Version problem

satya at physics.iisc.ernet.in satya at physics.iisc.ernet.in
Thu Nov 6 07:58:23 CET 2014

Dear all,
I am new to GROMACS, just finish installation of v5.0.2, started reading
online manual, as instructed executed the command: mdrun -version and the
printout pasted below.

It is printing GROMACS version 4.6.5, however I have installed version
5.0.2. What is the problem?

Satyabrata Das

Program: mdrun
Gromacs version:    VERSION 4.6.5
Precision:          single
Memory model:       64 bit
MPI library:        thread_mpi
OpenMP support:     enabled
GPU support:        disabled
invsqrt routine:    gmx_software_invsqrt(x)
CPU acceleration:   SSE4.1
FFT library:        fftw-3.3.3-sse2-avx
Large file support: enabled
RDTSCP usage:       enabled
Built on:           Sun Dec 15 04:01:11 UTC 2013
Built by:           buildd at panlong [CMAKE]
Build OS/arch:      Linux 3.2.0-37-generic x86_64
Build CPU vendor:   GenuineIntel
Build CPU brand:    Intel(R) Xeon(R) CPU           E5620  @ 2.40GHz
Build CPU family:   6   Model: 44   Stepping: 2
Build CPU features: aes apic clfsh cmov cx8 cx16 htt lahf_lm mmx msr
nonstop_tsc pcid pclmuldq pdcm pdpe1gb popcnt pse rdtscp sse2 sse3 sse4.1
sse4.2 ssse3
C compiler:         /usr/bin/x86_64-linux-gnu-gcc GNU gcc-4.8.real
(Ubuntu/Linaro 4.8.2-10ubuntu1) 4.8.2
C compiler flags:   -msse4.1    -Wextra -Wno-missing-field-initializers
-Wno-sign-compare -Wall -Wno-unused -Wunused-value -Wno-unused-parameter
-Wno-array-bounds -Wno-maybe-uninitialized -Wno-strict-overflow  
-fomit-frame-pointer -funroll-all-loops -fexcess-precision=fast  -O3
satyabrata at satyabrata-desktop:~$

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