Compiling NWChem


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bse.pnl.gov replaced by www.basissetexchange.org. BSE forum closed
 0 9997 Jun 7th 4:53 pm
Edoapra
Locked Sticky: NWChem 7.0.0 available for dowload
 0 12336 Dec 14th 2:51 pm
Edoapra

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Thread Title Replies Views Last Action
Segmentation fault with Scalapack from MKL
 5 1510 Apr 16th 12:57 am
Attacc
Simple compilation fails
 2 1449 Apr 13th 7:52 pm
Jagode
compiling error on fedora with openmpi
 2 1780 Apr 8th 3:35 pm
Marcindulak
.nwchemrc
 0 1490 Apr 3rd 9:31 am
Eenjoyzoo
executable has been created but not successful to run
 1 1464 Mar 19th 2:41 pm
Edoapra
pscale.c(310): error: identifier "DLAMCHS" is undefined error
 1 3364 Mar 13th 10:00 am
Edoapra
compile NWCHEM 6.5 ubuntu 14.04 ld error
 3 3866 Mar 9th 6:46 pm
Vladimir
Nwchem-dev.revision26704-src.2015-01-19 compilation fails with gfortran-5.0.0
 8 3280 Mar 2nd 2:05 pm
Marcindulak
make fails to build nwchem on single-processor system.
 1 2213 Feb 16th 5:21 pm
Edoapra
Nwchem-src-2014-01-28: ARMCI_NETWORK=SOCKETS no longer supported?
 2 4195 Feb 15th 5:27 am
Msxtj
scratch directory not accessible
 6 4063 Feb 11th 5:39 pm
Kmh603
Windows Compiling Error
 1 2033 Feb 1st 9:29 am
Rrenslow
Patch apply
 0 2067 Feb 1st 2:02 am
Masrul
Intel Xeon Phi compilation error
 6 3978 Jan 29th 11:52 pm
Masrul
NWChem compilation in mixed cluster
 1 1794 Jan 24th 8:44 am
Jhammond
Building NWChem on cray failed
 5 2516 Jan 15th 2:48 pm
Edoapra
QA tests and verification for nwchem 6.5 and hess/vib modules1 2
 16 10944 Jan 2nd 3:44 pm
Edoapra
Compile Nwchem 6.5 with Intel MPI
 2 2826 Dec 31st 5:43 pm
Extremis
HWLoc on multi-core Opteron defect - how to tell NWChem to choose other MPI packages
 1 2129 Dec 23rd 11:16 am
Edoapra
Compiling with MPICH
 2 2290 Dec 23rd 11:14 am
Edoapra
Compiling NWCHEM with Python 3.4
 1 2134 Dec 23rd 11:07 am
Edoapra
Build_nwchem script for MELLANOX
 0 1643 Dec 20th 7:47 am
Semmen
MA fatal error: MA_sizeof: invalid datatype: 343597384693
 5 2755 Dec 13th 7:55 pm
Eenjoyzoo
NWchem 6.1 with CCSDTQ and CCSDTLR
 2 3773 Dec 10th 9:42 am
Jhammond
having some problems with 6.1.1 and qlogic openmpi1 2
 16 11513 Dec 10th 9:21 am
Jhammond

Forum >> NWChem's corner >> Compiling NWChem
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