[Wien] Compiling the WIEN2k 24.1 version

Gavin Abo gabo13279 at gmail.com
Wed Sep 25 08:37:07 CEST 2024


There is not enough information.  Look in one of the compile.msg files, 
such as SRC_lapw1/compile.msg, as they could contain more detailed error 
messages.

Since the errors look to only be with mpi excecutables, if you are only 
doing serial calculations (without -p) on a personal computer, then you 
could ignore those particular messages.  On the other hand, if you are 
using a cluster, where there could be performance gains with mpi 
calculations over serial and k-point parallel, then you will need to 
resolve those errors.  Clusters typically have a local on-site 
administrator/helpdesk to talk to that may be able to help either fix 
your mpi installation or fix you compilation parameters in siteconfig 
for removing the errors.

On 9/25/2024 12:00 AM, Muhammad Arifin via Wien wrote:
> Dear Pro. Peter Blaha, and  wien2k user,
>
> I am a new user trying to install WIEN2k version 24.1, but I 
> encountered some errors while using the gfortran compiler.
> Here are some of the error messages I encountered:
>
> SRC_lapw1/compile.msg:collect2: error: ld returned 1 exit status
> SRC_lapw1/compile.msg:make[1]: *** [Makefile:194: lapw1_mpi] Error 1
> SRC_lapw1/compile.msg:make: *** [Makefile:178: rp] Error 2
> SRC_lapw1/compile.msg:collect2: error: ld returned 1 exit status
> SRC_lapw1/compile.msg:make[1]: *** [Makefile:197: lapw1c_mpi] Error 1
> SRC_lapw1/compile.msg:make: *** [Makefile:182: cp] Error 2
> SRC_lapwso/compile.msg:collect2: error: ld returned 1 exit status
> SRC_lapwso/compile.msg:make[1]: *** [Makefile:123: lapwso_mpi] Error 1
> SRC_lapwso/compile.msg:make: *** [Makefile:116: para] Error 2
>
> Thank you in advance!
> Best regards,
> Arifin
> -- 
> Muhammad Arifin
> Department of Physics, Faculty of Mathematics and Natural Sciences,
> Universitas Gadjah Mada, Yogyakarta, Indonesia
> Telp. +62-813-5324-3294
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20240925/abf80522/attachment.htm>


More information about the Wien mailing list