Adding a flag similar to: -bmaxdata:0x80000000 -bmaxstack:0x10000000 in you LINK command will increase your limits for the vasp binary. The program will stop. I have been able to get this to run... My problem was that that the structure in 01 was intermediate between 00 and 02 with a consequent reduction in symmetries and therefore more kpoints+bands which explains my increased memory requirements. news
The program will stop. Last edited by ashwin_r on Sun Dec 17, 2006 6:30 pm, edited 1 time in total. In Pt100 case, six images in the job and I used 6 nodes(each node has eight processors). The program will stop." This can supposedly be fixed using a "-q64" option when compiling which I tried and I also set all shell limits (data, stack etc.) to be unlimited. you could check here
Most compilers don't seem to mind, but it would be good to check. Mein KontoSucheMapsYouTubePlayNewsGmailDriveKalenderGoogle+ÜbersetzerFotosMehrShoppingDocsBooksBloggerKontakteHangoutsNoch mehr von GoogleAnmeldenAusgeblendete FelderNach Gruppen oder Nachrichten suchen [Pw_forum] Error encountered while attempting to allocate a data object. Download in other formats: Comma-delimited Text Tab-delimited Text RSS Feed Powered by Trac 1.0 By Edgewall Software.
Lois comment:3 Changed 9 years ago by gdevine Hi Lois, I tried regenerating the ancillary files again. Naively, I would expect that both procedures are running only one structure, possibly with some additional information being stored in the NEB case. NCAS Computational Modelling Services Website Skip to content Advanced search Board index Change font size FAQ Register Login Information The requested topic does not exist. I've made a new neb.F file with the problem fixed.
Now it isn't creating a file. When I tested vasp-NEB job, one system which is reaction on Pt(100) surface works fine so far. Unfortunately the new simulation crashes during reconfiguration with the following line repeated several times in the .leave file: "rcf_allochdr.f", line 161: 1525-108 Error encountered while attempting to allocate a data object. http://qe-forge.org/pipermail/pw_forum/2004-January/075379.html I was running out of memory apparently.
Anyway, this seems to be working now so thanks for that. Top ashwin_r Posts: 4 Joined: Fri Dec 15, 2006 5:20 pm Location: Princeton University Quote Postby ashwin_r » Sun Dec 17, 2006 4:36 pm Thanks! Could you try changing just one thing at a time, start with a working job and then - change the start file - change the STASH items Sorry to leave the When I tested the reaction on Pt(111) surface, the error message ' 1525-108 Error encountered while attempting to allocate a data' .
thanks! http://cms.ncas.ac.uk/ticket/1242 The error seems weird that NEB does not work for Pt111 surface reaction , whereas works Pt100 for same size systms. Error Encountered While Attempting To Allocate A Data Object Regards Willie comment:2 Changed 2 years ago by willie Resolution set to fixed Status changed from new to closed Note: See TracTickets for help on using tickets. If I repeat my run by copying the *same* POSCAR file to directories 00, 01 and 02 and run the NEB, things work like a normal VASP run.
The Darwin machine I'm running it on has 8Gb physical memory, so that shouldn't be a problem. http://invictanetworks.net/error-encountered/error-encountered-retrieving-data-expected.html The only difference in this file is how the variable old_tangent is allocated. I observe something interesting thus far: when I do a normal VASP run with 8 processors (12gb limit) things work fine. The available memory is 24gb each node.
Any Comment and Suggestion will be appreciated! SiteBuilder - Free web site building tool. The program will stop. "/projects/diamet/saclar/xjoea/umrecon/ppsrc/UM/utility/qxreconf/rcf_allochdr_mod.f90", line 163: 1525-108 Error encountered while attempting to allocate a data object. More about the author Top Display posts from previous: All posts1 day7 days2 weeks1 month3 months6 months1 year Sort by AuthorPost timeSubject AscendingDescending Post Reply Print view 11 posts • Page 1 of 1 Return
Board index The team • Delete all board cookies • All times are UTC Powered by phpBB Forum Software © phpBB Group My Community Support forum for VASP Skip to content Top graeme Site Admin Posts: 1462 Joined: Tue Apr 26, 2005 4:25 am Location: University of Texas at Austin Contact: Contact graeme Website Quote Postby graeme » Mon Jan 08, 2007 But I don't know if there's any compiler/linker options I need to pass to run jobs greater than a certain memory size.
It appears (from the OUTCAR file) that the program crashes when trying to initialize the FFTs. The stack and data were set unlimited. The id for this job is xcxed. We have also used the native essl math libraries that ibm provides.
I don't have any other ideas, but with the input files we could probably debug the problem. We have it running here on a Power5 system. They will be ignored. click site I don't think that the problem is with the STASH.
Toby PS While I'm asking, how do I generate a static binary that I can distribute to other people who don't have the xlf runtime libraries? -Wl,-static gives an error. _______________________________________________ I also tried commenting out all references to lanczos in chain.f and compiling without lanczos.o which worked fine. Top ashwin_r Posts: 4 Joined: Fri Dec 15, 2006 5:20 pm Location: Princeton University Quote Postby ashwin_r » Sun Dec 17, 2006 5:44 pm I checked the bands and planewaves and This does seem to suggest that it is a memory limit problem.
The same problem happens on both machines.