[gmx-users] validating gromacs installation 4.0.4

[Rafael R. Pappalardo]

Dear Sasidhar,
I am getting the same errors from the gmxtest.pl command.
./gmxtest.pl all
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
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

 I have tried yours patches but, in my system (Gromacs-4.0.4 compiled with 
Intel compilers IA-64 11.0.081 single precision), I only need to change 
rlist=rcoulomb in the kernel's grompp.mpd files to make them not to fail.

Thanks a lot for your analysis.

Sincerely,

Rafael
-- 
Dr. Rafael R. Pappalardo
Physical Chemistry Dept., Univ. de Sevilla (Spain)
e-mail: rafapa at us.es
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20090427/94676700/attachment.html>