Re: [Wien] TiC example fails with memory corruption error on Mixer

Hi, All of the error files are blank besides Mixer. I am running lapack version 3.5.0. I am not running this as a production system yet, I am just trying to understand how the software works and get it working on a basic level. Thank you, Alan Williams National High Magnetic Field

[Wien] Error message during scf calculation

Dear membersAfter compilation of wien2k2010,  i tried to run SCF cycle with binary GaAs compound. But itdoesn't work. I got the following this error: *** Error in`/root/wien2k/lapw1c': free(): corrupted unsorted chunks: 0x00b2a280***  *** Error in `/root/wien2k/lapw1c': malloc():

Re: [Wien] Error message during scf calculation

This might be due to the blocksize bug. The blocksize bug can be fixed by using the current 2014 version of WIEN2k, which is 14.2. On 3/24/2015 7:39 AM, farouk boutaiba wrote: Dear members After compilation of wien2k 2010, i tried to run SCF cycle with binary GaAs compound. But it doesn't

[Wien] Error message during scf calculation

Thank you sir for your helpBOUTAIBA Farouk Department of Physics Faculty of Science University of Science andTechnology of Oran P.O.Box: 1505 El M'Naouer 31000 Oran Algeria ___ Wien mailing list Wien@zeus.theochem.tuwien.ac.at

Re: [Wien] WIEN2k workshop

Respected Peter BLAHA, I am residing at Mizoram, remote part of North-East India. I am very much new in WIEN2k. I intend to attend your workshop on June 24-27, 2015, at Institute of High Performance Computing (IHCP), Singapore. As I am new, I want to know the followings things from the

[Wien] Update on hybrid troubles

I would like to ask for advice on scaling for the 96 atom amorphous system I am attempting to use hybrid calculations on. As it states below, my attempts with a (very) small system showed that the hybrid setup is functional and that there was a slowdown by a factor of about six between PBE and

Re: [Wien] TiC example fails with memory corruption error on Mixer

Please check that the files TiC.clmval and TiC.clmcor exist and have numbers in them (not NaN). If they look OK, add -g to the compiler options then recompile mixer. Hopefully that will provide human readable diagnostics. At the moment it is not clear where the problem is. Hi, All of the error