[gmx-users] Test-set

[Zhanglin Ni]

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" <jalemkul at vt.edu>
> Subject: Re: [gmx-users] Test-set
> To: Discussion list for GROMACS users <gmx-users at gromacs.org>
> Message-ID: <4A038FF5.3030902 at vt.edu>
> 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
>>