Compiling NWChem

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Announcement's	Replies	Views	Last Action
NWChem 6.5 has been released Started By : Karol	0	236	Sep 15th 10:02 am Karol
Locked Sticky: Anonymous posting on the NWChem forum has been disabled. Please create an account before posting. Started By : Bert	0	4660	Feb 2nd 6:13 pm Bert

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Thread Title	Replies	Views	Last Action
MPI-parallel plane wave build Started By : Gabe	6	1340	Jan 10th 12:34 pm Bert
Linking NWChem against Intel's MKL Started By : DouDou	5	1782	Jan 4th 9:42 am DouDou
parllel NWChem 6.1.1 vs Ubuntu 12.04 Started By : Clef	1	1402	Nov 28th 9:51 am Huub
Compiling NWChem 6.1 on Ubuntu 12.04 Started By : Flaregunhobo	2	1221	Nov 27th 9:51 pm Flaregunhobo
Compiling NWCHEM on Centos6.1 openmpi1.6 ifort icc Started By : Sacch	12	2293	Nov 23rd 1:48 am Sacch
undefined references in 6.1.1 Started By : Goranka	3	1200	Nov 22nd 2:17 am Sacch
compiling 6.1.1 Started By : Zhdsheng	4	2555	Nov 20th 8:27 am WillEverett
undefined reference to '_gfortran_copy_string' Started By : Rwohlhueter	12	3307	Nov 16th 9:24 am Edoapra
Compiling NWChem 6.1 on Rocks Cluster 6.0 Started By : Flo-lim	6	1699	Nov 5th 9:59 am Flo-lim
Building NWChem 6.1 with Intel 11.1 and Openmpi 1.6 on a IB cluster running CentOS 6.2 Started By : Dauria	5	4072	Oct 28th 9:35 pm Andypea
segmentation fault--running small test case, compiled with gfortran Started By : Dkanan	12	4422	Oct 15th 12:11 pm Edoapra
Infiniband Install Started By : Mef362	8	2699	Oct 5th 8:28 am Mef362
CCSD(T) on SGI UV1000 Started By : Iwatasuehiro	1	1259	Oct 2nd 10:50 am Edoapra
RPMS of Nwchem Started By : Marcindulak	2	1165	Sep 28th 12:04 pm Bert
compiling v6.1 for tcgmsg Started By : Rwohlhueter	1	903	Sep 10th 8:16 am Edoapra
having some problems with 6.1.1 and qlogic openmpi Started By : Michael tn	15	2124	Aug 30th 10:48 am Michael tn
6.1.1 MPI build runs great, but only on 1 node1 2 Started By : Chemogan	24	10759	Aug 29th 8:34 am Edoapra
Problelms compiling 6.1.1 on Cray XE6 Started By : Pdc	2	1349	Aug 22nd 2:48 am Pdc
Problems compiling nwchem with openSUSE, gcc, openmpi Started By : Jwkeller	12	3194	Aug 9th 1:34 pm Bert
Compiling NWChem 6.1 on Ubuntu 12.04 with OpenMPI 1.6 Started By : DouDou	2	1664	Aug 1st 8:06 pm DouDou
compiling nwchem with mpich2 Started By : Qjklw2012	3	1853	Jul 31st 8:55 am Edoapra
Problems compiling nwchem with openSUSE, gcc, mpich Started By : Qjklw2012	3	1190	Jul 30th 4:53 pm Qjklw2012
simple installation fail Started By : Schezel2000	2	1587	Jul 25th 3:03 pm Schezel2000
NWChem 6.1.1 RedHat 5.4, Intel 11.1, OpenMPI 1.3.4 Started By : Colinbann	4	1333	Jul 20th 5:43 am Colinbann
Must NWchem 6.1 be compiled from source for multi-proc parallel execution? Started By : Jwkeller	1	896	Jul 5th 9:06 am Bert

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