Compiling NWChem

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Locked Sticky: Website shutting down on July 31st 2020. Moving to google groups
0 1715 Jun 18th 5:01 pm
Edoapra
Locked Sticky: NWChem 7.0.0 available for dowload
0 13620 Dec 14th 2:51 pm
Edoapra

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Segmentation fault with Scalapack from MKL
5 1587 Apr 16th 12:57 am
Attacc
Simple compilation fails
2 1515 Apr 13th 7:52 pm
Jagode
compiling error on fedora with openmpi
2 1846 Apr 8th 3:35 pm
Marcindulak
.nwchemrc
0 1563 Apr 3rd 9:31 am
Eenjoyzoo
executable has been created but not successful to run
1 1519 Mar 19th 2:41 pm
Edoapra
pscale.c(310): error: identifier "DLAMCHS" is undefined error
1 3475 Mar 13th 10:00 am
Edoapra
compile NWCHEM 6.5 ubuntu 14.04 ld error
3 3956 Mar 9th 6:46 pm
Vladimir
Nwchem-dev.revision26704-src.2015-01-19 compilation fails with gfortran-5.0.0
8 3390 Mar 2nd 2:05 pm
Marcindulak
make fails to build nwchem on single-processor system.
1 2273 Feb 16th 5:21 pm
Edoapra
Nwchem-src-2014-01-28: ARMCI_NETWORK=SOCKETS no longer supported?
2 4316 Feb 15th 5:27 am
Msxtj
scratch directory not accessible
6 4177 Feb 11th 5:39 pm
Kmh603
Windows Compiling Error
1 2116 Feb 1st 9:29 am
Rrenslow
Patch apply
0 2115 Feb 1st 2:02 am
Masrul
Intel Xeon Phi compilation error
6 4061 Jan 29th 11:52 pm
Masrul
NWChem compilation in mixed cluster
1 1865 Jan 24th 8:44 am
Jhammond
Building NWChem on cray failed
5 2574 Jan 15th 2:48 pm
Edoapra
QA tests and verification for nwchem 6.5 and hess/vib modules1 2
16 11287 Jan 2nd 3:44 pm
Edoapra
Compile Nwchem 6.5 with Intel MPI
2 2901 Dec 31st 5:43 pm
Extremis
HWLoc on multi-core Opteron defect - how to tell NWChem to choose other MPI packages
1 2193 Dec 23rd 11:16 am
Edoapra
Compiling with MPICH
2 2347 Dec 23rd 11:14 am
Edoapra
Compiling NWCHEM with Python 3.4
1 2222 Dec 23rd 11:07 am
Edoapra
Build_nwchem script for MELLANOX
0 1696 Dec 20th 7:47 am
Semmen
MA fatal error: MA_sizeof: invalid datatype: 343597384693
5 2835 Dec 13th 7:55 pm
Eenjoyzoo
NWchem 6.1 with CCSDTQ and CCSDTLR
2 3871 Dec 10th 9:42 am
Jhammond
having some problems with 6.1.1 and qlogic openmpi1 2
16 11821 Dec 10th 9:21 am
Jhammond
Linking NWChem against Intel's MKL
6 6349 Dec 10th 9:11 am
Jhammond

Forum >> NWChem's corner >> Compiling NWChem
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