<html><head></head><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">Hi,<div><br></div><div>you can check with</div><div><br></div><div>ldd mdrun_mpi</div><div><br></div><div>whether really all needed libraries were found. Is libimf.so in </div><div>/opt/intel/fc/10.1.008/lib ? The intel compilers also come with</div><div>files called "iccvars.sh" or "ictvars.sh". If you do</div><div><br></div><div>source /path/to/iccvars.sh</div><div><br></div><div>everything should be set as needed. Check the Intel Compiler</div><div>documentation.</div><div><br></div><div>Carsten</div><div><br></div><div><div><br></div><div><div>On Jul 8, 2010, at 10:52 AM, zhongjin wrote:</div><br class="Apple-interchange-newline"><blockquote type="cite"><table cellspacing="0" cellpadding="0" border="0" style="position: static; z-index: auto; "><tbody><tr><td valign="top" style="font: inherit;"><div>Dear users,<br> When I am using GROMACS 4.0.7 on the Compute node ，executing command:</div>
<div><em>mpiexec -n 4 mdrun_mpi -deffnm SWNT66nvt >/dev/null &<br></em>and then met a problem :<em>mdrun_mpi: error while loading shared libraries: libimf.so: cannot open shared object file: No such file or directory<br></em>but I have added <em>export LD_LIBRARY_PATH=/opt/intel/fc/10.1.008/lib<br></em>in the .bash_profile, the <em>libimf.so</em> is in this directory.</div>
<div>However,when executing command:mdrun -deffnm SWNT66nvt &，it's OK ! Anybody could help me? Thanks a lot!</div>
<div>Zhongjin He</div></td></tr></tbody></table><br>
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<span class="Apple-style-span" style="border-collapse: separate; color: rgb(0, 0, 0); font-family: Helvetica; font-size: 14px; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-align: auto; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-border-horizontal-spacing: 0px; -webkit-border-vertical-spacing: 0px; -webkit-text-decorations-in-effect: none; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0; "><span class="Apple-style-span" style="border-collapse: separate; color: rgb(0, 0, 0); font-family: Helvetica; font-size: 14px; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-border-horizontal-spacing: 0px; -webkit-border-vertical-spacing: 0px; -webkit-text-decorations-in-effect: none; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px; "><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><div><br class="Apple-interchange-newline">--</div><div>Dr. Carsten Kutzner</div><div>Max Planck Institute for Biophysical Chemistry</div><div>Theoretical and Computational Biophysics</div><div>Am Fassberg 11, 37077 Goettingen, Germany</div><div>Tel. +49-551-2012313, Fax: +49-551-2012302</div><div><a href="http://www.mpibpc.mpg.de/home/grubmueller/ihp/ckutzne">http://www.mpibpc.mpg.de/home/grubmueller/ihp/ckutzne</a></div><div><br></div></div><br class="Apple-interchange-newline"></span><br class="Apple-interchange-newline"></span>
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