Dear all,
I am attaching the make.sys file (named it as make_sys due to
security reason).
Please have a look and comment whether there is any problem in compilation
due to which memory leakage is occurring.Awaiting for your reply Thanks a lot Regards Pallavi On Fri, Jan 9, 2015 at 4:45 PM, Pallavi Bothra <[email protected]> wrote: > Dear all, > The error is only coming while considering DFT+U. Otherwise > (taking account dipole), it is running absolutely fine. > > Thanks a lot > > Regards > Pallavi > > On Fri, Jan 9, 2015 at 9:44 AM, Pallavi Bothra <[email protected] > > wrote: > >> Dear all, >> One more information is that the attached input file is >> running fine in the same system with 5.0.2 version but as you can see the >> calculation is very insufficient and if I try to modify little bit >> (improving the calculation), I end up with very similar *"collective >> error"*. >> >> Thanking you >> >> Regards >> Pallavi >> >> >> On Thu, Jan 8, 2015 at 11:01 PM, Pallavi Bothra < >> [email protected]> wrote: >> >>> Dear all, >>> The number of atoms is 28, not 24. >>> >>> On Thu, Jan 8, 2015 at 10:58 PM, Pallavi Bothra < >>> [email protected]> wrote: >>> >>>> Dear all, >>>> One more thing, I am even trying with 4 layers slab >>>> (contains 24 atoms) instead of previous 8 layered one (contains 56 atoms) >>>> and also have considered all the available pseudopotentials but nothing >>>> helps. >>>> Input file for 4 layers is attached. >>>> Please if someone has any clue, help. >>>> >>>> Regards >>>> Pallavi >>>> >>>> On Thu, Jan 8, 2015 at 10:40 PM, Pallavi Bothra < >>>> [email protected]> wrote: >>>> >>>>> Dear all, >>>>> I got the similar problem posted in forum previously also >>>>> (http://qe-forge.org/pipermail/pw_forum/2014-September/105267.html). >>>>> But I did not find any clue from this. >>>>> >>>>> Thanks a lot >>>>> >>>>> Regards >>>>> Pallavi >>>>> >>>>> On Thu, Jan 8, 2015 at 8:27 PM, Pallavi Bothra < >>>>> [email protected]> wrote: >>>>> >>>>>> Dear all, >>>>>> I am trying to run DFT+U calculation on Co3O4 using >>>>>> 5.0.2 version (Input and out files are attached). >>>>>> I tried with different machines, different processors (16, 32, 64, >>>>>> 128), but the error is quite consistent. One more thing which I did not >>>>>> mention in my last mail, the job ran for 44 iterations finely (so I guess >>>>>> there is no error in input file). Please see the output file. >>>>>> Even I tried with 4.3.2 version but no luck. >>>>>> I will be really grateful if someone tells me whether this is >>>>>> compilation error or anything else. >>>>>> >>>>>> Thanks in advance >>>>>> >>>>>> Regards >>>>>> Pallavi >>>>>> >>>>> >>>>> >>>> >>> >> >
make_sys
Description: Binary data
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