For Windows

I have one more question. I try to use QE in cmd, Windows.

I downloaded binary QE and mpi.

However, I dont know the command to execute both programs. I can operate QE but I dont know how to use mpi with it.

Could you let me know the command to execute both QE and mpi together in cmd?

What is $NP ? in command in Burai. I want to input #Threads number. I know #process is '-np' command after mpiexec

Hi I am a novice to Quantum Espresso. I want to know mpirun commands you used in Burai. How can you input the number of processor and threads?

For example, mpirun -np ? -nt ? pw.x -in input.in> output.out

I want to operate QE with commands same like you used in Burai

I found that copying the msmpi.dll in BURAI1.3.2_Windows\exec.WIN\mpi folder to BURAI1.3.2_Windows\exec.WIN\qe folder can run pw.exe.

Then, I tried to enter C:\BURAI1.3.2_Windows\exec.WIN\mpi\mpiexec.exe -n 2 C:\BURAI1.3.2_Windows\exec.WIN\qe\pw.exe -in espresso.in, in cmd.

and the error prompt is program received Program received signal SIGSEGV: Segmentation fault - invalid memory reference..

It may be that the windows version of QE needs further setting.

I found that copying the msmpi.dll in BURAI1.3.2_Windows\exec.WIN\mpi folder to BURAI1.3.2_Windows\exec.WIN\qe folder can run pw.exe.

Then, I tried to enter C:\BURAI1.3.2_Windows\exec.WIN\mpi\mpiexec.exe -n 2 C:\BURAI1.3.2_Windows\exec.WIN\qe\pw.exe -in espresso.in, in cmd.

and the error prompt is program received Program received signal SIGSEGV: Segmentation fault - invalid memory reference..

It may be that the windows version of QE needs further setting.

hello everyone, I am getting this error while running any project. Can someone please help overcoming this

Hello for everybody. I have a problem, when I try to run a job I have next message: ERROR in running the project: C:\Users\ASUS\.burai\o

COMMAND:

C:\Users\Public\BURAI1.3.2 Windows exec WilN\mpilmpiexec.exe -n 4

C\Users\Public BURAI1.B.2_Windows'exec.WIN\qe\pw.exe -in espresso. in What am I doing wrong?

Did you change the path of MPI ?

If yes, please remove the file C:\Users\hp\.burai\.properties .

Then try to calculate.

I got your mail.

Please wait a day.

send it to "nisihara.burai@gmail.com"

Here, I am trying to attach files, something wrong files are not getting uploaded

You have got log files (espresso.log espresso.err),

which may help you.

No, i don't want it to run through command line. i installed according to burai youtube videos and followed same for geometry optimization and scf but it showing this error in starting only

Error in running the project: C:\Users\hp\.burai\Al opt2

BURAI1.3 includes mpiexec.exe of Microsoft-MPI.

There is no need to set path of MPI, if you post calculation through BURAI1.3.

If you want to calculate with command-line, you have to set the path:

set PATH=%PATH%;C:\BURAI1.3_Windows\exec.WIN\mpi;C:\BURAI1.3_Windows\exec.WIN\qe

I tried to install BURAI1.3 on window, i am facing problem while giving path to mpirun.n. Please suggest me how to install it

It may be caused by your network environment.

Hello i tried downloading with a a download manager, at 94% i kept getting access denied invalid user name and password. How can i complete the download.

Thanks