Compiling NWChem

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Announcement's Replies Views Last Action
Bug in Raman code
Started By : Sean
0 1903 Feb 2nd 6:45 pm
Sean
NWChem 6.6: bug in geometry optimization
Started By : Edoapra
0 1969 Jan 28th 2:50 pm
Edoapra
Sticky: NWChem 6.6 available for download
Started By : Edoapra
0 5472 Oct 20th 4:12 pm
Edoapra

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Thread Title Replies Views Last Action
compile NWCHEM 6.5 ubuntu 14.04 error
Started By : Dali
1 1071 Apr 20th 10:53 am
Edoapra
error with impi on centos7
Started By : Zhanfei
7 1199 Apr 16th 10:49 am
Edoapra
Segmentation fault with Scalapack from MKL
Started By : Attacc
5 963 Apr 16th 12:57 am
Attacc
Simple compilation fails
Started By : Jagode
2 783 Apr 13th 7:52 pm
Jagode
compiling error on fedora with openmpi
Started By : Eenjoyzoo
2 954 Apr 8th 3:35 pm
Marcindulak
.nwchemrc
Started By : Eenjoyzoo
0 888 Apr 3rd 9:31 am
Eenjoyzoo
executable has been created but not successful to run
Started By : Kaushikhatua
1 808 Mar 19th 2:41 pm
Edoapra
pscale.c(310): error: identifier "DLAMCHS" is undefined error
Started By : Puneet336
1 2379 Mar 13th 10:00 am
Edoapra
compile NWCHEM 6.5 ubuntu 14.04 ld error
Started By : Guillaume
3 2735 Mar 9th 6:46 pm
Vladimir
Nwchem-dev.revision26704-src.2015-01-19 compilation fails with gfortran-5.0.0
Started By : Marcindulak
8 2388 Mar 2nd 2:05 pm
Marcindulak
make fails to build nwchem on single-processor system.
Started By : Msxtj
1 1576 Feb 16th 5:21 pm
Edoapra
Nwchem-src-2014-01-28: ARMCI_NETWORK=SOCKETS no longer supported?
Started By : Marcindulak
2 2571 Feb 15th 5:27 am
Msxtj
scratch directory not accessible
Started By : Kmh603
6 2459 Feb 11th 5:39 pm
Kmh603
Windows Compiling Error
Started By : Rrenslow
1 1463 Feb 1st 9:29 am
Rrenslow
Patch apply
Started By : Masrul
0 1529 Feb 1st 2:02 am
Masrul
Intel Xeon Phi compilation error
Started By : Masrul
6 2796 Jan 29th 11:52 pm
Masrul
NWChem compilation in mixed cluster
Started By : Masrul
1 1285 Jan 24th 8:44 am
Jhammond
Building NWChem on cray failed
Started By : Sssmr
5 1811 Jan 15th 2:48 pm
Edoapra
QA tests and verification for nwchem 6.5 and hess/vib modules1 2
Started By : Statics
16 6059 Jan 2nd 3:44 pm
Edoapra
Compile Nwchem 6.5 with Intel MPI
Started By : Extremis
2 2034 Dec 31st 5:43 pm
Extremis
HWLoc on multi-core Opteron defect - how to tell NWChem to choose other MPI packages
Started By : Semmen
1 1596 Dec 23rd 11:16 am
Edoapra
Compiling with MPICH
Started By : Semmen
2 1555 Dec 23rd 11:14 am
Edoapra
Compiling NWCHEM with Python 3.4
Started By : Semmen
1 1509 Dec 23rd 11:07 am
Edoapra
Build_nwchem script for MELLANOX
Started By : Semmen
0 1177 Dec 20th 7:47 am
Semmen
MA fatal error: MA_sizeof: invalid datatype: 343597384693
Started By : Eenjoyzoo
5 1882 Dec 13th 7:55 pm
Eenjoyzoo

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