Hi, thanks for the time<br>I asked my administrator, he told me that there was no mpicc installed on p575, the fore mentioned mpcc was the MPI c compiler, but he is not very familiar with the AIX OS either, and I will try to explain my problem more clearly:
<br><br>a. configure --enable-mpi --prefix=/hpc/gmxmpi<br>I got a error message: "checking whether the MPI cc command works... configure: error: Cannot compile and link MPI code with mpc"<br><br>b. export MPICC=/usr/bin/mpcc
<br> configure --enable-mpi --prefix=/hpc/gmxmpi<br>I got the same error message as (1)<br><br>c. configure --enable-mpi=/usr/bin/mpcc --prefix=/hpc/gmxmpc<br>the configuration ended without error message, but at the end of the configure output, there was no message telling me that I was compiling with MPI support which usaslly does when I compile it on our Linux Cluster.
<br>make mdrun<br>I get the error message: "gcc: unrecognized option '-bmaxdata:0x80000000"<br>make install-mdrun<br>grompp -f -c -p -o 6np.tpr -sort -shuffle <br>mdrun -v -s 6np.tpr -np 6 -proces 6 -shared_memory
<br>then I got the no MPI support error "GROMACS compiled without MPI support - can't do parallel runs"<br><br>(4) I checked the Makefile and compared it with the one I successfully compiled on our Linux Cluster, found there was no MPI compiler invoked, for example, the 89th line "AS = gcc", 95th line "CC = gcc", 96th line "CCAS = gcc" etc.
<br><br>in fact, this is the first time we try the AIX OS out, we dont even know which is the MPI compiler, maybe the mpcc is not the MPI compiler...<br>I know many of you guys experienced with installation on AIX, any suggestions ? I am totally a newbie...
<br><br><div><span class="gmail_quote">On 10/18/07, <b class="gmail_sendername">Erik Lindahl</b> <<a href="mailto:lindahl@cbr.su.se">lindahl@cbr.su.se</a>> wrote:</span><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
<div style="">MPICC is the environment variable (upper case important). It should be set to the name of your mpi-enabled C compiler.<div><br></div><div>Cheers,</div><span class="sg"><div><br></div><div>ERik</div></span><div>
<span class="e" id="q_115b171845360bbb_2"><div><br><div><div>On Oct 18, 2007, at 4:40 AM, liu xin wrote:</div><br><blockquote type="cite"><div>Hi Erick</div> <div>you mean export MPICC=mpcc? ok, I will try that</div> <div>
<br><br> </div> <div><span class="gmail_quote">On 10/18/07, <b class="gmail_sendername">Erik Lindahl</b> <<a href="mailto:lindahl@cbr.su.se" target="_blank" onclick="return top.js.OpenExtLink(window,event,this)">lindahl@cbr.su.se
</a>> wrote:</span> <blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0px 0px 0px 0.8ex; padding-left: 1ex;">Hi,<br><br>On Oct 17, 2007, at 7:13 PM, liu xin wrote:<br><br>> Thanks for your quick comment David
<br> > but if I tried<br>> ./configure --enable-mpi --prefix=/hpc/gromacsmpi<br>> it will complain about cant find MPI compiler, but I've already<br>> export mpcc=mpicc<br>><br><br>Try setting MPICC instead :-)
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