<html><head><style type="text/css"><!-- DIV {margin:0px;} --></style></head><body><div style="font-family:times new roman, new york, times, serif;font-size:12pt"><div><br></div><div style="font-family:times new roman, new york, times, serif;font-size:12pt">Hi, Andy and Kirk,</div><div style="font-family:times new roman, new york, times, serif;font-size:12pt"><br></div><div style="font-family:times new roman, new york, times, serif;font-size:12pt"> thanks for the reply. unfortunately, we only have the 2006.1 version. Is there any easy way to do it in this version?</div><div style="font-family:times new roman, new york, times, serif;font-size:12pt"><br></div><div style="font-family:times new roman, new york, times, serif;font-size:12pt">best wishes</div><div style="font-family:times new roman, new york, times, serif;font-size:12pt"><br></div><div style="font-family:times new roman, new york, times, serif;font-size:12pt">john</div><div
style="font-family:times new roman, new york, times, serif;font-size:12pt"><br><div style="font-family:arial, helvetica, sans-serif;font-size:13px">----- Original Message ----<br>From: Andy May <MayAJ1@cardiff.ac.uk><br>To: John Travers <jtravers70@yahoo.com><br>Cc: molpro-user@molpro.net<br>Sent: Friday, September 5, 2008 12:47:48 PM<br>Subject: Re: [Molpro-user] running molpro with additional mpirun options<br><br>
John,<br><br>It depends which version of Molpro you are using. For 2008.1 you should <br>be able to modify the variable LAUNCHER in your CONFIG file, then type <br>make and it will get written into bin/molpro.<br><br>Best wishes,<br><br>Andy<br><br>John Travers wrote:<br>> Dear molpro user:<br>> <br>> Could any one teach me how to add an additional option, e.g. <br>> -input0 for the mpirun, in running of molpro compiled with MPI using <br>> infiniband network? <br>> <br>> <br>> Thank you <br>> <br>> John<br>> <br>> <br>> ------------------------------------------------------------------------<br>> <br>> _______________________________________________<br>> Molpro-user mailing list<br>> <a ymailto="mailto:Molpro-user@molpro.net" href="mailto:Molpro-user@molpro.net">Molpro-user@molpro.net</a><br>> <a href="http://www.molpro.net/mailman/listinfo/molpro-user"
target="_blank">http://www.molpro.net/mailman/listinfo/molpro-user</a><br></div></div><div style="position:fixed"></div></div><br>
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