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: [email protected]
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