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Locked Sticky: Anonymous posting on the NWChem forum has been disabled. Please create an account before posting. Started By : Bert	0	1781	Feb 2nd 7:13 pm Bert

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Thread Title	Replies	Views	Last Action
mpirun makes NWChem run 2 or more independent processes Started By : Lumbrius	2	589	Apr 20th 3:43 am Lumbrius
sym_geom_project: sym_center_map is inconsistent with requested accuracy Started By : Xiongxiaogen	1	2731	Apr 14th 10:59 am Bert
Can't run in parallel with cc basis sets Started By : Guest -	1	507	Apr 7th 2:36 pm Bert
Running NWchem on CentOs Started By : Ekauf	5	731	Apr 1st 12:16 pm Bert
Memory allocation Started By : Romaniz	6	1604	Apr 1st 12:05 pm Bert
WARNING:armci_set_mem_offset: offset changed 0 to -2097152 Started By : Rostov	0	565	Mar 30th 10:03 pm Rostov
TCE Restart Started By : Guest -	0	491	Mar 30th 2:42 am Guest -
DFT SCF procedure Started By : Guest -	2	1877	Mar 14th 12:41 pm Guest -
Free energy of a protein. Started By : Guest -	2	845	Mar 7th 10:19 pm Guest -
MP2 on ROHF Started By : GarciaFHI	1	540	Mar 2nd 12:04 pm Bert
Using NWchem binaries on various Linux versions Started By : Guest -	4	702	Feb 7th 2:48 pm Bert
Bug related to MAXVECS in TDDFT module Started By : Guest -	0	344	Jan 23rd 4:26 pm Guest -
g_b indices out of range in NMR shielding calculation Started By : Guest -	4	570	Jan 22nd 12:10 am Guest -
DFT optimization error for dimers and Platonic solid Started By : Shmakov I. A.	0	696	Jan 21st 8:37 am Shmakov I. A.
geom_rtdb_load: not found or rtdb corrupt Started By : Xiaoshu	1	703	Jan 11th 4:10 pm Guest -
Scaling of processor vs. number of atoms Started By : Ram	3	601	Jan 11th 4:01 pm Bert
how to read in the result MO from the last calculation? Started By : Guest -	5	617	Jan 11th 3:46 pm Bert
Regarding running nwchem Started By : Deepak1032	3	691	Jan 8th 11:46 pm Shmakov I. A.
Specifying regions for QMMM calculations Started By : Antimon	1	303	Jan 7th 1:18 pm Antimon
how to print out the force related to each atom Started By : Dulikai	1	311	Dec 25th 5:33 pm Dulikai
How do nwchem parallel run on a single machine Started By : Javacfish	3	1179	Dec 1st 2:28 pm Bert
Odd correlation energies for RI-MP2 calculations Started By : Guest -	13	1984	Nov 24th 9:53 am Guest -
charges embedding Started By : Guest -	2	443	Nov 21st 2:58 pm Guest -
Convergence criteria for geometry optimization with B3LYP Started By : Ram	3	5774	Nov 19th 4:28 pm Ram
Run parallel Started By : Guest -	2	535	Nov 11th 2:19 am Guest -

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