Compiling NWChem

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Locked Sticky: NWChem 6.8 available for dowload
Started By : Edoapra
0 2162 Dec 14th 1:51 pm
Edoapra

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problem with compiling on MacOs
Started By : Rmarchal
7 2272 Jan 15th 11:48 am
Edoapra
NWChem for Large systems
Started By : Tchantaw
3 2019 Jan 8th 2:33 pm
Edoapra
compiling NWChem 6.3
Started By : Dafazzi82
3 2721 Dec 17th 9:22 am
Edoapra
Problem compiling NWChem on CYGWIN
Started By : Newuser
1 1678 Dec 9th 2:07 pm
Huub
Compiling NWChem 6.3 on a Cray XC30
Started By : PetriNikunen
2 3695 Nov 18th 4:28 am
PetriNikunen
Nwchem 6.1.1 compiling failed on infiniband network
Started By : Tpirojsi
7 2045 Nov 17th 7:30 pm
Tpirojsi
Compiling NWChem with ARMCI_NETWORK=MPI-TS
Started By : Tfjermestad
10 6193 Nov 4th 1:44 am
Tfjermestad
Compiling NWChem 6.3 on OpenSuSe 12.1 w. MPICH
Started By : CoolEsza
5 1940 Oct 31st 8:36 am
Edoapra
Cray XT5: cannot run (../../ga-5-2/armci/src-portals/locks.h: 16)
Started By : Astreib
4 1756 Oct 25th 7:50 am
Astreib
Compilation error with include/mafdecls.fh
Started By : Ofer4
2 3206 Oct 24th 8:40 am
Huub
MemRegister error
Started By : Chrisa
7 31596 Oct 3rd 2:02 am
Chrisa
Compilation problem using Intel 2013 compiler
Started By : Sam99
8 3709 Sep 23rd 7:53 am
Edoapra
SOLVED How to include CCSDT-LR in NWchem
Started By : Lyzhao
0 1369 Sep 14th 4:15 pm
Lyzhao
Compile on BGQ
Started By : Shahabnaghavi
1 1501 Aug 29th 9:10 am
Edoapra
nwchem-6.3 compiling error with gcc 4.8.0 and mvapich2-1.9
Started By : Jtravers
2 1953 Aug 20th 4:36 pm
Jtravers
unable to link LAPACK from intel mkl
Started By : Karteek
2 4115 Aug 15th 7:37 pm
Karteek
ipo: warning #11010: file format not recognized for /opt/intel/bin
Started By : Jbaltrus
2 3749 Aug 12th 10:26 am
Jbaltrus
NWChem 6.3 with OpenMPI: configure error: f2c string convention
Started By : Jagode
4 3854 Jul 22nd 7:57 am
Jagode
problem installing NWChem6.1.1 w/Python
Started By : Smv
1 1864 Jul 17th 5:21 pm
Edoapra
patches for nwchem-6.3
Started By : Yangyue1209
1 2018 Jul 16th 12:11 pm
Edoapra
Problem with installing nwchem6.3 in fedora 14 : package couldn't found.
Started By : Shilpinwchem
1 1971 Jul 10th 8:24 am
Bert
6.3 openib build problems?
Started By : Michael tn
4 3310 Jul 9th 7:59 am
Edoapra
6.3 openmpi/openib/intel build script?
Started By : Michael tn
3 1629 Jul 9th 7:34 am
Huub
NWChem MD efficiency
Started By : Sacch
0 2330 Jun 27th 6:33 pm
Sacch
compiling without MPI
Started By : MHermes
2 3319 Jun 27th 1:20 pm
MHermes

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