MPI Run

Sumit_Impulse

Dear Nanoacademic Technology,
I wanted to run rescu simulation on parallel. I right the script in input file --->
smi.status = 1
gpu.status = 1
gpu.procpernode = 8

But when i run the simulation it shows error -->

Unrecognized function or variable 'mpi_proxy'.

Error in MPI_Initialized

Error in InitMPI

Error in InitMatRcal

Error in rescu

can you tell me what should i do for parallel calculation.

sbohloul

Sumit_Impulse

To run RESCU in parallel, you need to launch the program from the command line. For example, to run the simulation with 8 processes, you could issue the following command:

mpiexec -n 8 matlab -r "rescu --smi -i scf.input"

assuming you have access to MATALB. If you are using matlab runtime compilers to install RESCU, the command to launch the simulation would be:

mpiexec -n 8 rescu --smi -i scf.input

Please note that you need to make sure that you have openmpi available on your system and that RESCU is installed with parallel features enabled: https://docs.nanoacademic.com/rescu/installation/advancedInstallation/#sec-advancedinstallation

From the error, it looks like you have not properlly installed RESCU for parallel execution (please make sure openmpi libraries are available on your system).

Please let us know if you have any further questions.

Sumit_Impulse

Dear Nanoacademic,
Thanks for your response. As you said that that for doing parallel calculation I need to have OpenMpi in my system, but the thing is I am using rescu software in window in which i installed the rescu software using matlab.
I am also try to install OpenMpi in my system but i did not get openMpi software for window.
So, Please tell me how can I download OpenMpi Software in my system or If the OpenMpi is not possible to download,
tell me the alternat option that I can use parallel calculation.
Thanks Regards.

sbohloul

Sumit_Impulse

It would the best to consult openmpi docs to find their instruction for different systems: https://www.open-mpi.org/software/ompi/v1.6/ms-windows.php

If you need to run simulations in parallel, you could also use a linux environment under windows and intall the necessary libraries: https://docs.nanoacademic.com/rescu/installation/advancedInstallation/

Regrads,
Nanoacademic team