question of an error when running calculations

Guys, such a question, I have a dissertation on programming, and I also need help with this. I have a review with EssayWritingLab ,but I do not fully understand how to combine this with the practical part. Does anyone have such an experience? After all, I need to regularly bring the dissertation for corrections to the teacher and make new calculations.

also if you have trouble finding pseudo potential for elements, instead of downloading it every time you can go to burai folder/pseudopot and copy paste all items into Home/yourusername/.burai/.pseudopot

thanks to Nishihara san for this very helpful gui. to help you guys with this error that I also experienced you have to do following steps:

1- download an original and recent version of QeS and make the program. in folder bin you should be able to see files such as pw.x pp.x dos.x etc. (making QS is easy if you have proper libs).

2- copy paste those files to Home/yourusername/.local/.bin (use terminal for copy paste. google to learn how to do that)

3- go to drop menu on upper left side of Burai and change your Path of QE to the folder above.

this happens because burai is written with old version of openmpi and gfortran and many current system do not have them. but by making a new version of QeS and linking with current libraries the problem is solved.

hopefully we can see mr. Nishihara fix that small bug in future updates. and I am personally looking forward to seeing cp-md implementation in Burai.

Hello,

I am getting this error when I run the calculation. Can you help me out please. I am quite new towards using Ubuntu and don't know what to do to resolve it.

thought i posted this earlier today, but i figured it out (at least what was giving me the error)! after comparing the setup on my laptop to the setup i have on my work desktop i found that i had to change the path for qe, that is the input for "where is pw.x?" from /usr/lib/x86_64-linux-gnu to the burai folder. in my case, the burai folder was home/wai-ga/Downloads/BURAI1.3.2. Nishihara shows you how to access this option in the youtube video: https://www.youtube.com/watch?v=NWrFNuzEEhI

good luck and hope this helps!

i have exactly the same problem on my new laptop that ive installed ubuntu 18.04 on...and nothing seems to work ):

burai's SCF calculations seem to work well enough on my desktop at work, which i assume is running an earlier version of ubuntu (since it's always nagging at me to update haha) but do we have anymore ideas for this issue?

one thing i notice is that if i go to terminal and input

whereis libmpi_mpifh.so.12

i receive the following

libmpi_mpifh.so: /usr/lib/x86_64-linux-gnu/libmpi_mpifh.so.20 /usr/lib/x86_64-linux-

gnu/libmpi_mpifh.so

could it be that maybe burais looking for so.12 but my laptop only has so.20? keep in mind that im a linux noob so please dont make fun of me (:

Hi, again I to bother. I just installed the package and I still get the same error; suddenly some other suggestion. I hope he does not get upset by so much insistence. I would like to ask you another question if it is not too much trouble. what happens is that I want to study some properties of the ilmenite and perovskite of CdSnO3 but I have not found the format of the unit cell, suddenly some recommendation. thank you very much for everything, sorry again for the inconvenience

It seems your machine does not have shared library of OpenMPI.

Did you install MPICH2 into your machine?

This is the error that sells me when the attempt will join the calculation. I am very grateful for your help.

Let me see the content of the file espresso.err.opt .

Hi. I have already installed both, but still I can not run the program. Thank you very much for your response, which attends to suggestions because I am very interested in learning to use the program.

Did you install gfortran and OpenMPI ?

You can do it as:

> sudo apt-get install gfortran

> sudo apt-get install openmpi-bin libopenmpi-dev