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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Thread Title	Replies	Views	Last Action
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

Forum >> NWChem's corner >> Compiling NWChem

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