Compiling NWChem

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NWChem 6.5 has been released
Started By : Karol
0 237 Sep 15th 10:02 am
Karol
Locked Sticky: Anonymous posting on the NWChem forum has been disabled. Please create an account before posting.
Started By : Bert
0 4661 Feb 2nd 6:13 pm
Bert

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Thread Title Replies Views Last Action
Compiling error in geom_hnd.F
Started By : Gmatthias.ullmann
2 503 Feb 7th 9:16 am
Gmatthias.ullmann
problem with task scf
Started By : Lovika
3 530 Jan 31st 8:33 pm
Lovi
Using prebuild GA with NWchem 6.3
Started By : Gshamov
1 312 Jan 24th 5:08 pm
Edoapra
compile NWChem 6.3 with intel scalapack - segmentation fault
Started By : Ryetschye
1 560 Jan 20th 5:16 pm
Edoapra
problem with compiling on MacOs
Started By : Rmarchal
7 716 Jan 15th 11:48 am
Edoapra
NWChem for Large systems
Started By : Tchantaw
3 620 Jan 8th 2:33 pm
Edoapra
compiling NWChem 6.3
Started By : Dafazzi82
3 727 Dec 17th 9:22 am
Edoapra
Problem compiling NWChem on CYGWIN
Started By : Newuser
1 551 Dec 9th 2:07 pm
Huub
Compiling NWChem 6.3 on a Cray XC30
Started By : PetriNikunen
2 986 Nov 18th 4:28 am
PetriNikunen
Nwchem 6.1.1 compiling failed on infiniband network
Started By : Tpirojsi
7 617 Nov 17th 7:30 pm
Tpirojsi
Compiling NWChem with ARMCI_NETWORK=MPI-TS
Started By : Tfjermestad
10 1535 Nov 4th 1:44 am
Tfjermestad
Compiling NWChem 6.3 on OpenSuSe 12.1 w. MPICH
Started By : CoolEsza
5 685 Oct 31st 8:36 am
Edoapra
Cray XT5: cannot run (../../ga-5-2/armci/src-portals/locks.h: 16)
Started By : Astreib
4 508 Oct 25th 7:50 am
Astreib
Compilation error with include/mafdecls.fh
Started By : Ofer4
2 493 Oct 24th 8:40 am
Huub
MemRegister error
Started By : Chrisa
7 1994 Oct 3rd 2:02 am
Chrisa
Compilation problem using Intel 2013 compiler
Started By : Sam99
8 1340 Sep 23rd 7:53 am
Edoapra
SOLVED How to include CCSDT-LR in NWchem
Started By : Lyzhao
0 570 Sep 14th 4:15 pm
Lyzhao
Compiling NWChem on Cygwin1 2
Started By : P99
17 6750 Sep 13th 12:10 am
Ivo
Compile on BGQ
Started By : Shahabnaghavi
1 559 Aug 29th 9:10 am
Edoapra
nwchem-6.3 compiling error with gcc 4.8.0 and mvapich2-1.9
Started By : Jtravers
2 835 Aug 20th 4:36 pm
Jtravers
unable to link LAPACK from intel mkl
Started By : Karteek
2 771 Aug 15th 7:37 pm
Karteek
ipo: warning #11010: file format not recognized for /opt/intel/bin
Started By : Jbaltrus
2 670 Aug 12th 10:26 am
Jbaltrus
NWChem 6.3 with OpenMPI: configure error: f2c string convention
Started By : Jagode
4 1433 Jul 22nd 7:57 am
Jagode
problem installing NWChem6.1.1 w/Python
Started By : Smv
1 780 Jul 17th 5:21 pm
Edoapra
patches for nwchem-6.3
Started By : Yangyue1209
1 654 Jul 16th 12:11 pm
Edoapra

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