<table cellspacing="0" cellpadding="0" border="0" ><tr><td valign="top" style="font: inherit;"><DIV>Hi,</DIV>
<DIV>I was finally able to get my MPI GROMACS running on my laptop. Thanks for all those who have provided invaluable suggestions. </DIV>
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<DIV>Best,</DIV>
<DIV> </DIV>
<DIV>Simon Sham <BR><BR>--- On <B>Mon, 9/27/10, simon sham <I><ssham44@yahoo.com></I></B> wrote:<BR></DIV>
<BLOCKQUOTE style="BORDER-LEFT: rgb(16,16,255) 2px solid; PADDING-LEFT: 5px; MARGIN-LEFT: 5px"><BR>From: simon sham <ssham44@yahoo.com><BR>Subject: MPI and dual-core laptop<BR>To: gmx-users@gromacs.org<BR>Date: Monday, September 27, 2010, 11:42 AM<BR><BR>
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<TD vAlign=top>Hi,<BR>I wanted to test the GROMACS MPI version in my dual-processors laptop. I have installed openmpi 1.4.2 version. However, when I tried to configure GROMACS 4.5.1 with --enable-mpi option, I got the following configuration problem:<BR><BR>"checking whether the MPI cc command works... configure: error: Cannot compile and link MPI code with mpicc"<BR><BR><BR>mpicc is in my /usr/local/bin directory.<BR><BR>Questions:<BR>1. Can I run GROMACS 4.5.1 in a dual-processor laptop?<BR>2. If yes, how should I configure the software?<BR><BR>Thanks in advance for your insight.<BR><BR>Best,<BR><BR>Simon Sham<BR></TD></TR></TBODY></TABLE><BR></DIV></BLOCKQUOTE></td></tr></table><br>