How to recompile wien2k if error dstart.def failed ( wien2k 18.2 libraries setup)
Автор: easyedu
Загружено: 2019-07-22
Просмотров: 6305
Описание:
If you are facing error in dstart ( def failed) than this video demonstrate how to recompile wien2k and update and setup the R libraries in ./siteconfig_lapw
Procdured used in this video is for gfortran users. following this procedure make sure you have installed the openblas.
steps
cd wien2k ..(directory)
1. ./siteconfig_lapw
(system FG (gfortran+openblas) compiler gfortran gcc)
2. selection O
3. selection R
for openblas (path to libopenblas.a liblapack.a -lpthread)
/opt/OpenBLAS/lib/libopenblas.a /usr/lib/x86_64-linux-gnu/lapack/liblapack.a -lpthread
if openBLAS is not installed than add follwing lines
-lblas -llapack -lpthread
4. s save and quit
5. R compile and recompile
7. A compile all programs
wait for compilation to complete
8. Q quit
than start w2web
Hastags
#wien2k #recompilewien2k #dstar.def #dstartfailed #./siteconfig_lapw #openBLAS
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