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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	2516	Feb 2nd 7:13 pm Bert

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Thread Title	Replies	Views	Last Action
memory problem for running CCSD(T) jobs Started By : Zfang	5	567	Jan 14th 9:20 am Edoapra
int2e_test_mem: int2e_file_open failed 0 Started By : Bbob79	5	217	Jan 11th 1:41 pm Bert
Running COSMO for acetone as the solvent Started By : TMD IUP	1	301	Jan 2nd 11:04 am Bert
Error running any job on cluster running Ubuntu 12.04 Started By : Flaregunhobo	4	410	Dec 27th 8:34 pm Flaregunhobo
SCF convergence failure using aug-cc-pvdz for pyrene molecule Started By : Sriramdl	1	305	Dec 26th 12:01 pm Edoapra
Setting ARMCI_DEFAULT_SHMMAX properly Started By : Martijn	5	470	Dec 21st 2:12 am Martijn
polar first and polar scf in md Started By : Sacch	2	304	Dec 19th 9:11 am Sacch
Reading Property Output Started By : Hhg	2	249	Dec 11th 11:38 am Hhg
Is this a memory problem? Started By : Psd	3	402	Dec 10th 11:43 am Karol
CREOMSD(T) vs CCSDT Started By : Martijn	0	232	Dec 7th 11:11 am Martijn
(SOLVED) Loading a (buggy?) geometry. Started By : Davis68	2	246	Dec 5th 10:10 am Davis68
Memory/solver options for EOM-CCSDT Started By : Martijn	1	221	Dec 4th 1:17 pm Bert
molecular dynamics output file Started By : Sacch	1	276	Dec 4th 11:20 am Tps
TCE CCSD print "t2" output Started By : Cchang	2	269	Dec 4th 10:27 am Cchang
Strange behavior running parallel Started By : Asa	7	604	Dec 3rd 11:00 am Asa
Running QM/MM calculation by charmm on ubuntu 12.04 Started By : Varnon	1	291	Dec 3rd 9:29 am Varnon
NWCHEM runs with low %CPU Started By : Ranez	2	343	Nov 29th 1:02 pm Ranez
Is this normal? Started By : Dhaminah	4	295	Nov 26th 5:10 pm Dhaminah
An error occured while computing integrals? Started By : Alexbalboa	1	253	Nov 26th 12:42 pm Edoapra
pDoS (gaussian basis) output Started By : Cjh085	1	276	Nov 26th 12:37 pm Edoapra
Estimating parallel speedup Started By : Jarvist	1	309	Nov 26th 10:15 am Bert
Is there a systematic way of finding out how much memory is needed? Started By : Yesint	10	520	Nov 25th 2:55 am Yesint
memory demand Started By : Clusterix	2	258	Nov 22nd 12:05 am Clusterix
ECPs - Am I doing it right? Started By : Andrew.yeung	2	320	Nov 21st 11:17 am Andrew.yeung
createfile: failed ga_create size=********* Started By : Dhaminah	7	398	Nov 20th 2:37 pm Dhaminah
Different number of steps for the same job Started By : Pierre-antoine	3	266	Nov 20th 10:46 am Edoapra

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