[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?
Regards,
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
-DNDEBUG
satyabrata at satyabrata-desktop:~$
--
This message has been scanned for viruses and
dangerous content by MailScanner, and is
believed to be clean.
More information about the gromacs.org_gmx-users
mailing list