Compiling NWChem

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Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 267 Dec 14th 1:51 pm
Edoapra

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executable has been created but not successful to run
Started By : Kaushikhatua
1 873 Mar 19th 1:41 pm
Edoapra
pscale.c(310): error: identifier "DLAMCHS" is undefined error
Started By : Puneet336
1 2485 Mar 13th 9:00 am
Edoapra
compile NWCHEM 6.5 ubuntu 14.04 ld error
Started By : Guillaume
3 2949 Mar 9th 5:46 pm
Vladimir
Nwchem-dev.revision26704-src.2015-01-19 compilation fails with gfortran-5.0.0
Started By : Marcindulak
8 2524 Mar 2nd 1:05 pm
Marcindulak
make fails to build nwchem on single-processor system.
Started By : Msxtj
1 1654 Feb 16th 4:21 pm
Edoapra
Nwchem-src-2014-01-28: ARMCI_NETWORK=SOCKETS no longer supported?
Started By : Marcindulak
2 2781 Feb 15th 4:27 am
Msxtj
scratch directory not accessible
Started By : Kmh603
6 2727 Feb 11th 4:39 pm
Kmh603
Windows Compiling Error
Started By : Rrenslow
1 1529 Feb 1st 8:29 am
Rrenslow
Patch apply
Started By : Masrul
0 1593 Feb 1st 1:02 am
Masrul
Intel Xeon Phi compilation error
Started By : Masrul
6 2952 Jan 29th 10:52 pm
Masrul
NWChem compilation in mixed cluster
Started By : Masrul
1 1369 Jan 24th 7:44 am
Jhammond
Building NWChem on cray failed
Started By : Sssmr
5 1894 Jan 15th 1:48 pm
Edoapra
QA tests and verification for nwchem 6.5 and hess/vib modules1 2
Started By : Statics
16 7059 Jan 2nd 2:44 pm
Edoapra
Compile Nwchem 6.5 with Intel MPI
Started By : Extremis
2 2160 Dec 31st 4:43 pm
Extremis
HWLoc on multi-core Opteron defect - how to tell NWChem to choose other MPI packages
Started By : Semmen
1 1670 Dec 23rd 10:16 am
Edoapra
Compiling with MPICH
Started By : Semmen
2 1696 Dec 23rd 10:14 am
Edoapra
Compiling NWCHEM with Python 3.4
Started By : Semmen
1 1613 Dec 23rd 10:07 am
Edoapra
Build_nwchem script for MELLANOX
Started By : Semmen
0 1237 Dec 20th 6:47 am
Semmen
MA fatal error: MA_sizeof: invalid datatype: 343597384693
Started By : Eenjoyzoo
5 2012 Dec 13th 6:55 pm
Eenjoyzoo
NWchem 6.1 with CCSDTQ and CCSDTLR
Started By : Marcinz
2 2528 Dec 10th 8:42 am
Jhammond
having some problems with 6.1.1 and qlogic openmpi1 2
Started By : Michael tn
16 8786 Dec 10th 8:21 am
Jhammond
Linking NWChem against Intel's MKL
Started By : DouDou
6 4949 Dec 10th 8:11 am
Jhammond
Compilation error in CRAY XE6 with nwchem version 6.3
Started By : Jahir123
3 1096 Nov 22nd 2:03 am
Jahir123
Depend.x file in compilation of software
Started By : Ramadavidgroup
0 819 Nov 13th 10:21 pm
Ramadavidgroup
NWChem 6.5 and Intel Xeon Phis with intel 14.0.3 and intelmpi 4.1.3
Started By : Chrisn77
7 2219 Nov 12th 3:29 am
Chrisn77

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