Techmint Blog: mpich2

mpich2

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74. Building nwchem 6.1 on debian testing 32 bit only

EDIT 18 May 2012: It's now been solved on 64 bit as well Compiling nwchem 6.1 with internal libs on debian: http://verahill.blogspot.c...

EDIT 18 May 2012: It's now been solved Compiling nwchem 6.1 with internal libs on debian: http://verahill.blogspot.com.au/2012/05/com...

I have a switch with three computers attached two it. The ip addresses are static and are 192.168.1.1 (beryllium), 192.168.1.101 (boron), 19...

Symptom: when doing mdrun -s nm.tpr -mtx nm.mtx -v -deffnm nm on a system with 637 atoms you end up with: ...Finish step 636 out of 637 and ...

If you are using mpich2 1.2.1.1-5 -- read the ** comment. Otherwise don't worry. ** In my example I've used mpich2 ver 1.2.1.1-5 --...

Here's a streamlined version of compiling and setting up nwchem with mpich2 support on a virgin debian testing (wheezy) 64 bit computer....

For various reasons my beowulf has been dismantled and in boxes for most of the year, with only the six-core node seeing use a normal work c...

** See post on 15/12/2011 for information about Debian 64 bit. It builds fine on Squeeze but not Wheezy. This seems to have to do with the v...