[gmx-users] How to complie gromacs on sgi Altix450?

石子枫 lv-wenping at live.cn
Mon Sep 14 07:39:08 CEST 2009


Hello ,everybody!
 I meet some strange errors,I can install gromacs on my desktop computer, but I can't install gromacs on SGI Altix450 workstation.</:includetail>
 And both of the computer's operating systems are SUSE 10.</:includetail>
 </:includetail> 
 ======================</:includetail>
 There are some install information, I holp  someone can help me !</:includetail>
  </:includetail>
 I have met some mistakes while installing gromacs on SGI Altix450 workstaion.</:includetail>
 The Operating System is SUSE 10 .</:includetail>
 My fortran complier is intel fortran complier (11.1 version).</:includetail>
 I have successfully installed mpich2-1.1.1p1 and fftw3.2.2 .</:includetail>
 But when I install gromacs-4.0.5 with "--disable-float" ,there are some errors occured like this:</:includetail>
 ;;;;;;;;;;;;;;;;;;;;;;;;;;</:includetail>
 checking main for -lfftw... no </:includetail>
 error</:includetail>
 ;;;;;;;;;;;;;;;;;;;;;;;;;;;</:includetail>
  </:includetail>
 If I do not use that  option ,no error occured on the complie step.</:includetail>
 </:includetail> 
  But, It can't written any information into the *.trr and *.edr files.</:includetail>
 ================</:includetail>
 </:includetail> 
 Thanks for your time.</:includetail>
 </:includetail> 
 Wenping Lv </:includetail>
 
 
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