Compiling NWChem

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Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 2163 Dec 14th 1:51 pm
Edoapra

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Thread Title Replies Views Last Action
error with opmpi1.65 and gfortran
Started By : Zhanfei
1 1316 Apr 27th 10:41 am
Edoapra
compile NWCHEM 6.5 ubuntu 14.04 error
Started By : Dali
1 1419 Apr 20th 9:53 am
Edoapra
error with impi on centos7
Started By : Zhanfei
7 1790 Apr 16th 9:49 am
Edoapra
Segmentation fault with Scalapack from MKL
Started By : Attacc
5 1241 Apr 15th 11:57 pm
Attacc
Simple compilation fails
Started By : Jagode
2 1127 Apr 13th 6:52 pm
Jagode
compiling error on fedora with openmpi
Started By : Eenjoyzoo
2 1456 Apr 8th 2:35 pm
Marcindulak
.nwchemrc
Started By : Eenjoyzoo
0 1197 Apr 3rd 8:31 am
Eenjoyzoo
executable has been created but not successful to run
Started By : Kaushikhatua
1 1154 Mar 19th 1:41 pm
Edoapra
pscale.c(310): error: identifier "DLAMCHS" is undefined error
Started By : Puneet336
1 2902 Mar 13th 9:00 am
Edoapra
compile NWCHEM 6.5 ubuntu 14.04 ld error
Started By : Guillaume
3 3441 Mar 9th 5:46 pm
Vladimir
Nwchem-dev.revision26704-src.2015-01-19 compilation fails with gfortran-5.0.0
Started By : Marcindulak
8 2900 Mar 2nd 1:05 pm
Marcindulak
make fails to build nwchem on single-processor system.
Started By : Msxtj
1 1944 Feb 16th 4:21 pm
Edoapra
Nwchem-src-2014-01-28: ARMCI_NETWORK=SOCKETS no longer supported?
Started By : Marcindulak
2 3411 Feb 15th 4:27 am
Msxtj
scratch directory not accessible
Started By : Kmh603
6 3374 Feb 11th 4:39 pm
Kmh603
Windows Compiling Error
Started By : Rrenslow
1 1765 Feb 1st 8:29 am
Rrenslow
Patch apply
Started By : Masrul
0 1817 Feb 1st 1:02 am
Masrul
Intel Xeon Phi compilation error
Started By : Masrul
6 3475 Jan 29th 10:52 pm
Masrul
NWChem compilation in mixed cluster
Started By : Masrul
1 1562 Jan 24th 7:44 am
Jhammond
Building NWChem on cray failed
Started By : Sssmr
5 2208 Jan 15th 1:48 pm
Edoapra
QA tests and verification for nwchem 6.5 and hess/vib modules1 2
Started By : Statics
16 9050 Jan 2nd 2:44 pm
Edoapra
Compile Nwchem 6.5 with Intel MPI
Started By : Extremis
2 2532 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 1918 Dec 23rd 10:16 am
Edoapra
Compiling with MPICH
Started By : Semmen
2 1989 Dec 23rd 10:14 am
Edoapra
Compiling NWCHEM with Python 3.4
Started By : Semmen
1 1868 Dec 23rd 10:07 am
Edoapra
Build_nwchem script for MELLANOX
Started By : Semmen
0 1420 Dec 20th 6:47 am
Semmen

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