[Pw_forum] crash in pslibrary.0.2.2

[David Strubbe]

Hi Nicola,

This was with ifort 11.1 -O3, running in parallel. In serial only the Ti
pseudo failed. I tried again with PGI on a Cray machine and everything
succeeded. So this is certainly a compiler-dependent issue. Just wanted to
bring it to the developers' attention.

David

2011/11/18 Nicola Marzari <nicola.marzari at epfl.ch>

>
>
> Hi David,
>
>
> it worked for me a couple of days ago, with gfortran/gcc on a Macbook
> Air. Can you try a couple of different compilers, or platforms, to see if
> that solves it?
>
>                        nicola
>
>
>
>
> On 11/19/11 12:25 AM, David Strubbe wrote:
>
>> Dear QE developers,
>>
>> I would like to report some problems with pslibrary.0.2.2. Everything
>> works fine for me when I do make_all_ps, except the input files below
>> which cause ld1 to crash with the respective error messages, which occur
>> consistently.
>>
>> David Strubbe
>> UC Berkeley
>>
>>
>> Bi.pbe-rrkjus.in <http://Bi.pbe-rrkjus.in>, Bi.pz-rrkjus.in
>> <http://Bi.pz-rrkjus.in>, Bi.rel-pz-rrkjus.in
>> <http://Bi.rel-pz-rrkjus.in>, Bi.rel-pbe-rrkjus.in
>> <http://Bi.rel-pbe-rrkjus.in>
>>
>>
>> from compute_q_3bess : error # 1
>> problem with the q_i coefficients
>>
>> Ti.pbe-nc.in <http://Ti.pbe-nc.in>
>>
>>
>> from run_pseudo : error # 1
>> Errors in PS-KS equation
>>
>>
>>
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>>
>
>
> --
>
> ------------------------------**------------------------------**----------
> Prof Nicola Marzari, Chair of Theory and Simulation of Materials, EPFL
>
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