Re: [QE-users] QE v.6.8 installation on M1 mac

2021-12-19 Thread Ye Luo
As Paolo pointed out. We are aware of zdotc being an issue on certain machines. That unit test was intended to catch such cases. Your test failure basically indicates if zdotc being called, a crash will show up. It usually won't cause wrong results. You should have no problem using the majority of

Re: [QE-users] QE v.6.8 installation on M1 mac

2021-12-18 Thread Paolo Giannozzi
It's the usual "gfortran and complex functions problem". See 2.8.2.1 here: https://www.quantum-espresso.org/Doc/user_guide/node15.html#SECTION00038210 Paolo On Sun, Dec 19, 2021 at 6:22 AM Viejay Ordillo wrote: > Dear Ye, > > Thank you for the advice. I followed the instructions

Re: [QE-users] QE v.6.8 installation on M1 mac

2021-12-18 Thread Viejay Ordillo
Dear Ye, Thank you for the advice. I followed the instructions from the link you provided for CMake installation and while running CTests, it returned me this error: Program received signal SIGBUS: Access to an undefined portion of a memory object. Backtrace for this error: #0 0x100e189b7

Re: [QE-users] QE v.6.8 installation on M1 mac

2021-12-18 Thread Ye Luo
Also make sure you have a clean source directory before you start. Module files built previously may cause troubles. Ye === Ye Luo, Ph.D. Computational Science Division & Leadership Computing Facility Argonne National Laboratory On Sat, Dec 18, 2021 at 11:10 AM Ye Luo wrote: >

Re: [QE-users] QE v.6.8 installation on M1 mac

2021-12-18 Thread Ye Luo
Could you try CMake? https://gitlab.com/QEF/q-e/-/wikis/Developers/CMake-build-system Ye === Ye Luo, Ph.D. Computational Science Division & Leadership Computing Facility Argonne National Laboratory On Sat, Dec 18, 2021 at 5:20 AM Viejay Ordillo wrote: > Dear QE users, > I've

Re: [QE-users] QE v.6.8 installation on M1 mac

2021-12-18 Thread Paolo Giannozzi
Unless you need the "virtual_v2.x" executable, just "touch upflib/virtual_v2.x". Explanations in commit e7f62601, Sep. 24 Paolo On Sat, Dec 18, 2021 at 12:20 PM Viejay Ordillo wrote: > Dear QE users, > I've been trying to install quantum espresso v.6.8 on my mac computer (M1 > chip), but I

[QE-users] QE v.6.8 installation on M1 mac

2021-12-18 Thread Viejay Ordillo
Dear QE users, I've been trying to install quantum espresso v.6.8 on my mac computer (M1 chip), but I keep getting errors along the process. Configuring with *./configure CPP="gcc -E" *was successful. However, when I tried to use *make all *command, it threw me this error: checking build system