Re: [Wien] Error in BerryPI Ver. Mar 15, 2021

2021-10-04 Thread Rubel, Oleg
on behalf of turchenko Sent: Saturday, October 2, 2021 10:15 To: wien@zeus.theochem.tuwien.ac.at Subject: [Wien] Error in BerryPI Ver. Mar 15, 2021 Dear WIEN2k Creators and Users, I am running Wien2k v.21.1 on a machine Z370/i7-8700K/32G2133/256G_M.2_PCIE/T2TB_W/8G_GTX1070/600W/ with operat

[Wien] Error in BerryPI Ver. Mar 15, 2021

2021-10-02 Thread turchenko
Dear WIEN2k Creators and Users, I am running Wien2k v.21.1 on a machine Z370/i7-8700K/32G2133/256G_M.2_PCIE/T2TB_W/8G_GTX1070/600W/ with operating system Centos 7, fortran compiler INTEL (parallel_studio_xe_2020), and Python 2.7.5 The purpose of my calculations is to get quantity of

Re: [Wien] Error in BerryPI Ver. Mar 15, 2021

2021-10-02 Thread Rubel, Oleg
Dear Vitalii, thank you for reporting this issue and giving such a nice description (incl. the structure file). I will try to reproduce the error on my end and let you know. Best regards Oleg > On Oct 2, 2021, at 16:15, turchenko wrote: > > Dear WIEN2k Creators and Users, > I am running