ABINIT Discussion Forums

Dear JMB

Thank you. There are a few things worth trying there, so I will and report if I can get it to work.

Many thanks again,
Dan

Hi and thank you for taking this on systematically. Well, I think that doing some of what you are suggesting kinda sets us back to issues I thought I found solutions for and might take even more time to figure out, but let's try. Alright, I removed all optimization flags (and everything that Eric su...

Hello again, Eric, and thank you. First, the only thing that works so that I can access mpiifort and the others (instead of mpif90, mpicc and mpicxx) is to directly change those inside the "configure" file. As mentioned, it does not apparently recognize mpiicc and mpiicpc as Intel compiler...

Thank you, Eric, for your kindness. I was indeed very hopeful to try the enable_avx_safe_mode option as suggested in that post, but unfortunately the behavior is still not right. For abinit v863, it's OK when running on 1 node (18 processors), and refuses to converge while doing even the first relax...

Hello! After trying a lot to solve this, I thought to ask help on this forum as well. Thank you in advance for your advice. I would like to start using a system that only has the compilers from Intel Composer 2017. Have configured as suggested by the Intel MKL advisor and I can get the abinit execut...

Hello! I would much appreciate the help of an expert with respect to the trouble I have when compiling abinit v. 6.23 (I also tried several newer versions, getting same error message) on a NEC superux machine. I am attaching the config.log file I used. The behavior is as follows: 1. The lapack and b...