Compiling NWChem

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Locked Sticky: Website shutting down on July 31st 2020. Moving to google groups
0 1715 Jun 18th 5:01 pm
Edoapra
Locked Sticky: NWChem 7.0.0 available for dowload
0 13620 Dec 14th 2:51 pm
Edoapra

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NWChem for Large systems
3 2447 Jan 8th 3:33 pm
Edoapra
compiling NWChem 6.3
3 3029 Dec 17th 10:22 am
Edoapra
Problem compiling NWChem on CYGWIN
1 1975 Dec 9th 3:07 pm
Huub
Compiling NWChem 6.3 on a Cray XC30
2 4414 Nov 18th 5:28 am
PetriNikunen
Nwchem 6.1.1 compiling failed on infiniband network
7 2316 Nov 17th 8:30 pm
Tpirojsi
Compiling NWChem with ARMCI_NETWORK=MPI-TS
10 7368 Nov 4th 2:44 am
Tfjermestad
Compiling NWChem 6.3 on OpenSuSe 12.1 w. MPICH
5 2218 Oct 31st 9:36 am
Edoapra
Cray XT5: cannot run (../../ga-5-2/armci/src-portals/locks.h: 16)
4 2033 Oct 25th 8:50 am
Astreib
Compilation error with include/mafdecls.fh
2 3886 Oct 24th 9:40 am
Huub
MemRegister error
7 112763 Oct 3rd 3:02 am
Chrisa
Compilation problem using Intel 2013 compiler
8 4126 Sep 23rd 8:53 am
Edoapra
SOLVED How to include CCSDT-LR in NWchem
0 1600 Sep 14th 5:15 pm
Lyzhao
Compile on BGQ
1 1757 Aug 29th 10:10 am
Edoapra
nwchem-6.3 compiling error with gcc 4.8.0 and mvapich2-1.9
2 2209 Aug 20th 5:36 pm
Jtravers
unable to link LAPACK from intel mkl
2 5058 Aug 15th 8:37 pm
Karteek
ipo: warning #11010: file format not recognized for /opt/intel/bin
2 4498 Aug 12th 11:26 am
Jbaltrus
NWChem 6.3 with OpenMPI: configure error: f2c string convention
4 4390 Jul 22nd 8:57 am
Jagode
problem installing NWChem6.1.1 w/Python
1 2070 Jul 17th 6:21 pm
Edoapra
patches for nwchem-6.3
1 2281 Jul 16th 1:11 pm
Edoapra
Problem with installing nwchem6.3 in fedora 14 : package couldn't found.
1 2238 Jul 10th 9:24 am
Bert
6.3 openib build problems?
4 3695 Jul 9th 8:59 am
Edoapra
6.3 openmpi/openib/intel build script?
3 1955 Jul 9th 8:34 am
Huub
NWChem MD efficiency
0 2749 Jun 27th 7:33 pm
Sacch
compiling without MPI
2 3750 Jun 27th 2:20 pm
MHermes
NWChem-6.3 (2013-05-28) on SUSE Linux
5 4201 Jun 21st 9:19 pm
Tz
MA fatal error: MA_sizeof: invalid datatype
2 4226 Jun 19th 7:37 pm
Davis68

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