Compiling NWChem

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Announcement's Replies Views Last Action
Sticky: Beta version of NWChem 6.6 available for download
Started By : Edoapra
2 250 Sep 30th 10:14 am
Edoapra
NWChem 6.5 has been released
Started By : Karol
0 9010 Sep 15th 11:02 am
Karol

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Thread Title Replies Views Last Action
error with revision 27151
Started By : Heully
1 169 Jun 1st 10:57 pm
Edoapra
Problems with NWChem compilation on Linux
Started By : Anastasia.phys
11 585 May 27th 7:12 am
Anastasia.phys
mov2asc
Started By : P99
2 286 May 19th 3:26 am
P99
Is the following combination of env. variables required on MAC OS 10.10.3 When compiled with Python?
Started By : Xiongyan21
2 486 May 10th 12:53 am
Xiongyan21
BLUEGENE compilation for big number of atoms
Started By : CoolEsza
0 291 May 4th 2:42 am
CoolEsza
When compiled with Python is the following combination of env. variables required on MAC OS 10.10.3?
Started By : Xiongyan21
0 156 May 2nd 7:42 am
Xiongyan21
multiple definition of `util_mic_set_affinity_' at util_mic_support.c:176
Started By : Puneet336
1 991 May 1st 6:10 pm
Edoapra
error with opmpi1.65 and gfortran
Started By : Zhanfei
1 273 Apr 27th 11:41 am
Edoapra
compile NWCHEM 6.5 ubuntu 14.04 error
Started By : Dali
1 337 Apr 20th 10:53 am
Edoapra
error with impi on centos7
Started By : Zhanfei
7 412 Apr 16th 10:49 am
Edoapra
Segmentation fault with Scalapack from MKL
Started By : Attacc
5 299 Apr 16th 12:57 am
Attacc
Simple compilation fails
Started By : Jagode
2 272 Apr 13th 7:52 pm
Jagode
compilation problem with nwchem-rev26871.2015-02-24
Started By : Jtravers
1 395 Apr 13th 6:34 pm
Edoapra
compiling error on fedora with openmpi
Started By : Eenjoyzoo
2 298 Apr 8th 3:35 pm
Marcindulak
.nwchemrc
Started By : Eenjoyzoo
0 244 Apr 3rd 9:31 am
Eenjoyzoo
executable has been created but not successful to run
Started By : Kaushikhatua
1 262 Mar 19th 2:41 pm
Edoapra
pscale.c(310): error: identifier "DLAMCHS" is undefined error
Started By : Puneet336
1 984 Mar 13th 10:00 am
Edoapra
compile NWCHEM 6.5 ubuntu 14.04 ld error
Started By : Guillaume
3 1144 Mar 9th 6:46 pm
Vladimir
Patch to allow internal coordinates for icosahedral clusters
Started By : Hloupy.Honza
1 836 Mar 6th 3:55 pm
Edoapra
Nwchem-dev.revision26704-src.2015-01-19 compilation fails with gfortran-5.0.0
Started By : Marcindulak
8 1205 Mar 2nd 2:05 pm
Marcindulak
make fails to build nwchem on single-processor system.
Started By : Msxtj
1 955 Feb 16th 5:21 pm
Edoapra
Nwchem-src-2014-01-28: ARMCI_NETWORK=SOCKETS no longer supported?
Started By : Marcindulak
2 1770 Feb 15th 5:27 am
Msxtj
scratch directory not accessible
Started By : Kmh603
6 1265 Feb 11th 5:39 pm
Kmh603
Windows Compiling Error
Started By : Rrenslow
1 931 Feb 1st 9:29 am
Rrenslow
Patch apply
Started By : Masrul
0 923 Feb 1st 2:02 am
Masrul

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