From NWChem
Viewed 145 times, With a total of 4 Posts
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Just Got Here
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Posts 3
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11:58:01 PM - Fri, Oct 21st 2011 |
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test
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Edited On 12:58:19 AM - Sat, Oct 22nd 2011 by Aqua regia
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Just Got Here
Threads 1
Posts 3
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4:45:44 AM - Sat, Oct 22nd 2011 |
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install problem
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The forum wouldn't let me post code for some reason so go here:
http://claws.wcu.edu/reoverstreet1/problem.pdf
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Edited On 4:46:41 AM - Sat, Oct 22nd 2011 by Aqua regia
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4:57:42 PM - Mon, Oct 31st 2011 |
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To follow up on this item for the benefit of the community.
Issue is GNU make 3.82.
We have seen issues with GNU make 3.82 (see http://www.nwchem-sw.org/index.php/Special:AWCforum/st/id114/#post_506 and http://old.nabble.com/%22mixed-implicit-and-normal-rules%22-td29471694.html for example). My recommendation is to download the latest development version, which uses an updated makefile structure that doesn’t have these issues. Alternatively, installing make 3.81 will work too.
Bert
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4:04:49 PM - Thu, Nov 24th 2011 |
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MPI references not found
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I am trying to build NWChem for Ubuntu 10.10 but after a lot of warnings about
missing MPI references (mpi_bcast_ mpi_waitall_ etc) the compilation aborts.
? have set the environmental variables MPI_LIB and MPI_INLCUDE
Thanks.
George
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Clicked A Few Times
Threads 2
Posts 9
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5:05:28 PM - Thu, Nov 24th 2011 |
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Hi,
if you have still your fedora 15 consider installing from RPMS:
http://www.nwchem-sw.org/index.php/Special:AWCforum/st/id262/RPMS_of_NWchem.html
About the GNU make 3.82 issues:
no need to download new nwchem or install an old make (this may be a source of big troubles on your system).
As http://www.nwchem-sw.org/index.php/Special:AWCforum/st/id114/#post_506 says, simply apply the patch:
https://svn.fysik.dtu.dk/projects/rpmbuild/trunk/SOURCES/nwchem-6.0.gGNUmakefile.patch
nwchem-6.0$ cd src/
patch -p1 < ../nwchem-6.0.gGNUmakefile.patch
This has been done in order to build RPMS.
Marcin
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Edited On 5:22:02 PM - Thu, Nov 24th 2011 by Marcindulak
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