[gmx-users] help-Test set

[Justin A. Lemkul]

Zhanglin Ni wrote:
> Dear all,
> I installed gromacs-4.0.4, I followed the installation instruction. the 
> installation seemed no problem at all.  afterwards, I run test-set 
> gmxtest-4.0.4 immediately.
> The results are
> All 16 simple tests PASSED
> FAILED. Check files in field
> FAILED. Check files in tip4p
> FAILED. Check files in tip4pflex
> FAILED. Check files in water
> 4 out of 14 complex tests FAILED

So check the output of these tests; small rounding errors are insignificant and 
can cause the test to fail (as described on the wiki).

The kernel failures you cite below have been reported before:

http://bugzilla.gromacs.org/show_bug.cgi?id=313

-Justin

> FAILED. Check files in kernel020
> FAILED. Check files in kernel120
> FAILED. Check files in kernel121
> FAILED. Check files in kernel122
> FAILED. Check files in kernel123
> FAILED. Check files in kernel124
> FAILED. Check files in kernel220
> FAILED. Check files in kernel221
> FAILED. Check files in kernel222
> FAILED. Check files in kernel223
> FAILED. Check files in kernel224
> FAILED. Check files in kernel320
> FAILED. Check files in kernel321
> FAILED. Check files in kernel322
> FAILED. Check files in kernel323
> FAILED. Check files in kernel324
> 16 out of 63 kernel tests FAILED
> pdb2gmx tests PASSED
> 
> How I can do to solve the problem since it was just installed. Thanks
> Johnny
> 
> 
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-- 
========================================

Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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