The configurations are
Linux version 2.6.27.21-170.2.56.fc10.i686.PAE (gcc version 4.3.2 20081105
(Red Hat 4.3.2-7) (GCC) ) #1 SMP Mon Mar 23 23:24:26 EDT 2009
CPU1: Intel(R) Core(TM)2 Duo CPU E7400 @ 2.80GHz stepping 0a
lspci
00:00.0 Host bridge: Intel Corporation 82G33/G31/P35/P31 Express DRAM
Controller (rev 10)
00:02.0 VGA compatible controller: Intel Corporation 82G33/G31 Express
Integrated Graphics Controller (rev 10)
00:1b.0 Audio device: Intel Corporation 82801G (ICH7 Family) High Definition
Audio Controller (rev 01)
00:1d.0 USB Controller: Intel Corporation 82801G (ICH7 Family) USB UHCI
Controller #1 (rev 01)
00:1d.1 USB Controller: Intel Corporation 82801G (ICH7 Family) USB UHCI
Controller #2 (rev 01)
00:1d.2 USB Controller: Intel Corporation 82801G (ICH7 Family) USB UHCI
Controller #3 (rev 01)
00:1d.3 USB Controller: Intel Corporation 82801G (ICH7 Family) USB UHCI
Controller #4 (rev 01)
00:1d.7 USB Controller: Intel Corporation 82801G (ICH7 Family) USB2 EHCI
Controller (rev 01)
00:1e.0 PCI bridge: Intel Corporation 82801 PCI Bridge (rev e1)
00:1f.0 ISA bridge: Intel Corporation 82801GB/GR (ICH7 Family) LPC Interface
Bridge (rev 01)
00:1f.2 IDE interface: Intel Corporation 82801GB/GR/GH (ICH7 Family) SATA
IDE Controller (rev 01)
00:1f.3 SMBus: Intel Corporation 82801G (ICH7 Family) SMBus Controller (rev
01)
01:08.0 Ethernet controller: Intel Corporation 82801G (ICH7 Family) LAN
Controller (rev 01)
FAILED. Check files in field
FAILED. Check files in tip4p
FAILED. Check files in tip4pflex
FAILED. Check files in water
The water test seems was the worse one. it showed like
....
Pressure (bar) step 50: 46893.3, step 50: 44603
Vir-XY step 50: -2423.21, step 50: -1880.2
Vir-XZ step 50: 667.327, step 50: 307.438
Vir-YX step 50: -2422.22, step 50: -1880.23
Vir-YY step 50: -3194.86, step 50: -2655.73
Vir-YZ step 50: -2208.7, step 50: -2608.7
Vir-ZX step 50: 667.878, step 50: 308.434
Vir-ZY step 50: -2207.77, step 50: -2608.41
Vir-ZZ step 50: -1482.41, step 50: -680.999
Thanks
Johnny
Message: 1
Date: Thu, 07 May 2009 21:50:45 -0400
From: "Justin A. Lemkul" <[email protected]>
Subject: Re: [gmx-users] Test-set
To: Discussion list for GROMACS users <[email protected]>
Message-ID: <[email protected]>
Content-Type: text/plain; charset=ISO-8859-1; format=flowed
Zhanglin Ni wrote:
The checkvir.out files looked like (I just show last few lines here):
Pressure (bar) step 50: 46893.3, step 50: 44603
Vir-XY step 50: -2423.21, step 50: -1880.2
Vir-XZ step 50: 667.327, step 50: 307.438
Vir-YX step 50: -2422.22, step 50: -1880.23
Vir-YY step 50: -3194.86, step 50: -2655.73
Vir-YZ step 50: -2208.7, step 50: -2608.7
Vir-ZX step 50: 667.878, step 50: 308.434
Vir-ZY step 50: -2207.77, step 50: -2608.41
Vir-ZZ step 50: -1482.41, step 50: -680.999
Files read succesfully
Which failed test does this correspond to?
At this point, it would also be appropriate to report your system
configuration
- your OS, version, which compilers were used (and version), hardware, and
anything else necessary to diagnose the problem.
-Justin
-Johnny
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