it totally helped!

thank you so much...

sure,

-bash-4.2$ ulimit -s
8192

after running the code w/ -debugtime,

==== backtrace (tid: 245748) ====
0 0x0000000000ba8532 m_types_xcpot_inbuild_mp_xcpot_get_vxc_() /truba/home/kkalkan/fleur-release/types/types_xcpot_inbuild.F90:96
1 0x000000000082313a m_vmt_xc_mp_vmt_xc_() /truba/home/kkalkan/fleur-release/vgen/vmt_xc.F90:125
2 0x00000000007fcd85 m_vgen_xcpot_mp_vgen_xcpot_() /truba/home/kkalkan/fleur-release/vgen/vgen_xcpot.F90:135
3 0x00000000004cdd99 m_vgen_mp_vgen_() /truba/home/kkalkan/fleur-release/main/vgen.F90:125
4 0x0000000000410d74 m_fleur_mp_fleur_execute_() /truba/home/kkalkan/fleur-release/main/fleur.F90:314
5 0x00000000004c210f m_fleur_jobs_mp_fleur_job_execute_() /truba/home/kkalkan/fleur-release/main/fleur_job.F90:238
6 0x00000000004bca48 MAIN__() /truba/home/kkalkan/fleur-release/main/fleur_job.F90:309
7 0x000000000040d2e2 main() ???:0
8 0x0000000000022555 __libc_start_main() ???:0
9 0x000000000040d1e9 _start() ???:0
=================================

thanks al lot

Hi,
I'm using fleur5.1 and i do my calculations via e-infastructure (High Performance and Grid Computing Center)

i only modified calculation setup section as in my other calculations. "... itmax="30" minDistance=".00000000" maxIterBroyd="99" ..."

thanks a lot