[Wien] An error during mBJ calculations

[Muhammad Sajjad]

Hi Luis

thank you. but this link it not running? is it right?

On Mon, May 20, 2013 at 8:30 PM, Luis Ogando <lcodacal at gmail.com> wrote:

> Hi Sajjad,
>
>    Please see :
> http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg07175.html
>
>    In my case, the changes in vresp.F gave rise to compilation errors, but
> my problem was solved changing only fft_modules.F.
>  All the best,
> Luis
>
>
> 2013/5/18 Muhammad Sajjad <sajjadpu at gmail.com>
>
>> Dear WIen2k users
>>
>> I am using Wien2k 12 version
>> I am performing mBj calculations. In the last step when I give the command
>> runsp_lapw -cc 0.00001 -in1new 2 -i 100
>>
>> The following error appeared.
>>
>> [msajjad at msajjad SCF1]$ runsp_lapw -cc 0.00001 -in1new 2 -i 100
>>  LAPW0 END
>> forrtl: severe (174): SIGSEGV, segmentation fault occurred
>> Image              PC                Routine            Line
>> Source
>> lapw0              0000000000404BF6  c3fft_1_                  119
>> fftpack_helpers.f
>> lapw0              0000000000412829  fftpack_mp_c3fft_         397
>> fft_modules.F
>> lapw0              000000000047E542  vresp_                    106
>> vresp.F
>> lapw0              0000000000493E18  xcpot3_                   147
>> xcpot3.F
>> lapw0              000000000044BF0E  MAIN__                   1935
>> lapw0.F
>> lapw0              00000000004038EC  Unknown               Unknown
>> Unknown
>> libc.so.6          00000034BF01ECDD  Unknown               Unknown
>> Unknown
>> lapw0              00000000004037E9  Unknown               Unknown
>> Unknown
>>
>> >   stop error
>>
>> Can someone please help to overcome this problem?
>>
>> Regards
>> M. Sajjad
>>
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>>
>
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