[QE-users] Issue with running parallel version of QE 6.3 on more than 16 cpu

2018-08-29 Thread Martina Lessio
Dear all, I have been successfully using QE 5.4 for a while now but recently decided to install the newest version hoping that some issues I have been experiencing with 5.4 would be resolved. However, I now have some issues when running version 6.3 in parallel. In particular, if I run a sample

Re: [QE-users] How to carry out a series of simulations at the same time and output the stress and energy to one file?

2018-08-29 Thread Hao Chen
Tried. It works. Thanks very much, Dr. Minho Lee. Minho Lee 于2018年8月28日周二 上午5:18写道: > Dear Hao Chen, > > I think linux command “grep” and “tail" may helpful for you. > > For example, if you have several job directories and each direcotires have > standard output file named “job.out”, > > You

[QE-users] Calculating Potential Energy Profile

2018-08-29 Thread Dan Gil
Hi, I would like to calculate the potential energy profile along the z-axis of a system. I am using pp.x, but I am running into an error: "namelist plot not found or invalid, exiting" I realize this is a fairly common error but I wasn't yet able to find the reason for this problem... Here is