Compiling NWChem
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bse.pnl.gov replaced by www.basissetexchange.org. BSE forum closed
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Jun 7th 4:53 pm
Edoapra
Locked Sticky:
NWChem 7.0.0 available for dowload
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Dec 14th 2:51 pm
Edoapra
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segmentation fault--running small test case, compiled with gfortran
12
10781
Oct 15th 1:11 pm
Edoapra
Infiniband Install
8
7436
Oct 5th 9:28 am
Mef362
CCSD(T) on SGI UV1000
1
2885
Oct 2nd 11:50 am
Edoapra
RPMS of Nwchem
2
2756
Sep 28th 1:04 pm
Bert
compiling v6.1 for tcgmsg
1
1882
Sep 10th 9:16 am
Edoapra
6.1.1 MPI build runs great, but only on 1 node
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2
24
27728
Aug 29th 9:34 am
Edoapra
Problelms compiling 6.1.1 on Cray XE6
2
2548
Aug 22nd 3:48 am
Pdc
Problems compiling nwchem with openSUSE, gcc, openmpi
12
9867
Aug 9th 2:34 pm
Bert
Compiling NWChem 6.1 on Ubuntu 12.04 with OpenMPI 1.6
2
4190
Aug 1st 9:06 pm
DouDou
compiling nwchem with mpich2
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3521
Jul 31st 9:55 am
Edoapra
Problems compiling nwchem with openSUSE, gcc, mpich
3
3023
Jul 30th 5:53 pm
Qjklw2012
NWChem 6.1.1 RedHat 5.4, Intel 11.1, OpenMPI 1.3.4
4
3801
Jul 20th 6:43 am
Colinbann
Must NWchem 6.1 be compiled from source for multi-proc parallel execution?
1
2191
Jul 5th 10:06 am
Bert
Compiling NWChem With MKL
1
1696
Jun 25th 11:55 am
Aguilar853
problem on armci-network protocol
5
3984
Jun 15th 9:30 am
Bert
Compiling questions
3
4194
May 30th 2:42 pm
Bert
Compiling with MPI under cygwin
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13170
May 16th 5:15 pm
Bert
CentOS 5.7, RHEL5.2 NWChem 6.1 64 bit will build ok, but crash when run causing seg violation
4
3931
May 7th 8:59 am
Fiu chemistry
cygwin compilation issues
3
3685
Apr 12th 10:54 am
SergeL
Compiling with MVAPICH2 leads to undefined references
2
4744
Apr 9th 5:26 pm
Deburgess
Compiling with OpenFabrics interface
1
2504
Apr 9th 1:35 pm
Bert
(Help!) Compiling NWChem6.1 with ifort,icc,mpich2, and mkl library
6
4755
Mar 30th 3:23 pm
Bert
Compiling NWChem as a library
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2036
Mar 16th 6:35 am
Logsdail
Building NWChem 6.1 with openmpi
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2841
Feb 29th 6:33 pm
Bert
NWChem 6.1 linking problem
7
6962
Feb 18th 4:59 am
Marcindulak
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