[Wien] Regarding the wien2k scf calculation initialization.

chethanv Research Scholar chethanv at physics.uni-mysore.ac.in
Wed May 17 11:44:02 CEST 2023


Both these files are not installed  can you tell how to include this
files or can you share thi installed file.
libfftw3_mpi.a  libfftw3_mpi.la


On Wed, May 17, 2023 at 10:21 AM chethanv Research Scholar <
chethanv at physics.uni-mysore.ac.in> wrote:

> Thank you for your email. I don't know what is the reason and error about
> dstart , I am attaching the compile.msg please guide me to install correctly
>
> On Tue, May 16, 2023 at 9:38 PM chethanv Research Scholar <
> chethanv at physics.uni-mysore.ac.in> wrote:
>
>> Thank you for your reply. I am attaching the compile.msg file below
>> please let me know how to resolve this issue.
>>
>>
>> On Tue, May 16, 2023 at 6:25 PM chethanv Research Scholar <
>> chethanv at physics.uni-mysore.ac.in> wrote:
>>
>>> I am running wien version 23.2 on a AMD Ryzen9 machine with gcc fortran
>>> compilers.
>>>  I get the following error
>>>
>>> error: command   /home/admin123/WIEN2k_23/dstartpara dstart.def   failed
>>> 0.025u 0.002s 0:00.26 7.6%	0+0k 0+32io 0pf+0w
>>> dstart: Command not found.
>>>
>>>
>>>
>>> with best regards
>>> Chethan V.
>>> Junior Research Fellow
>>> University of Mysore
>>> Ph. No. 8050435657
>>>
>>
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