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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error with impi on centos7
7 2380 Apr 16th 10:49 am
Edoapra
Segmentation fault with Scalapack from MKL
5 1586 Apr 16th 12:57 am
Attacc
Simple compilation fails
2 1514 Apr 13th 7:52 pm
Jagode
compiling error on fedora with openmpi
2 1845 Apr 8th 3:35 pm
Marcindulak
.nwchemrc
0 1562 Apr 3rd 9:31 am
Eenjoyzoo
executable has been created but not successful to run
1 1518 Mar 19th 2:41 pm
Edoapra
pscale.c(310): error: identifier "DLAMCHS" is undefined error
1 3474 Mar 13th 10:00 am
Edoapra
compile NWCHEM 6.5 ubuntu 14.04 ld error
3 3955 Mar 9th 6:46 pm
Vladimir
Nwchem-dev.revision26704-src.2015-01-19 compilation fails with gfortran-5.0.0
8 3389 Mar 2nd 2:05 pm
Marcindulak
make fails to build nwchem on single-processor system.
1 2272 Feb 16th 5:21 pm
Edoapra
Nwchem-src-2014-01-28: ARMCI_NETWORK=SOCKETS no longer supported?
2 4315 Feb 15th 5:27 am
Msxtj
scratch directory not accessible
6 4176 Feb 11th 5:39 pm
Kmh603
Windows Compiling Error
1 2115 Feb 1st 9:29 am
Rrenslow
Patch apply
0 2114 Feb 1st 2:02 am
Masrul
Intel Xeon Phi compilation error
6 4060 Jan 29th 11:52 pm
Masrul
NWChem compilation in mixed cluster
1 1864 Jan 24th 8:44 am
Jhammond
Building NWChem on cray failed
5 2573 Jan 15th 2:48 pm
Edoapra
QA tests and verification for nwchem 6.5 and hess/vib modules1 2
16 11286 Jan 2nd 3:44 pm
Edoapra
Compile Nwchem 6.5 with Intel MPI
2 2900 Dec 31st 5:43 pm
Extremis
HWLoc on multi-core Opteron defect - how to tell NWChem to choose other MPI packages
1 2192 Dec 23rd 11:16 am
Edoapra
Compiling with MPICH
2 2346 Dec 23rd 11:14 am
Edoapra
Compiling NWCHEM with Python 3.4
1 2221 Dec 23rd 11:07 am
Edoapra
Build_nwchem script for MELLANOX
0 1695 Dec 20th 7:47 am
Semmen
MA fatal error: MA_sizeof: invalid datatype: 343597384693
5 2834 Dec 13th 7:55 pm
Eenjoyzoo
NWchem 6.1 with CCSDTQ and CCSDTLR
2 3870 Dec 10th 9:42 am
Jhammond
having some problems with 6.1.1 and qlogic openmpi1 2
16 11820 Dec 10th 9:21 am
Jhammond

Forum >> NWChem's corner >> Compiling NWChem
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