mpirun fails for yambo

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mpirun fails for yambo

Postby damao4361556 » Wed Dec 23, 2015 6:56 am

Hi Everyone

I am trying to run yambo in parallel.

The yambo code were compiled with mpif90, and the configure report shows that the MPI option was enable:

Code: Select all
[X] Double precision
[X] Redundant compilation 
[X] MPI
[ ] OpenMP
[X] PW (5.0) support
[ ] ETSF I/O support
[ ] SCALAPACK
[XXX] NETCDF/HDF5/Large Files
[XX ] Built-in BLAS/LAPACK/LOCAL

[ CPP ] icc -E -ansi 
[  C  ] icc -O3 -D_C_US -D_FORTRAN_US
[MPICC] /opt/openmpi-1.6.5/intel/bin/mpicc -O3 -D_C_US -D_FORTRAN_US
[ F90 ] ifort -O2   
[MPIF ] /opt/openmpi-1.6.5/intel/bin/mpif90 -O2   
[ F77 ] ifort -O2
[Cmain] -nofor_main
[NoOpt] -assume bscc -O0 -xHost


However, when I run the yambo with mpirun, it fails with the errors:
mpirun was unable to launch the specified application as it could not find an executable:

Executable: yambo
Node: compute-0-6

while attempting to start process rank 1.


this is the command I used to execute the yambo:
/opt/openmpi-1.6.5/intel/bin/mpirun -machinefile host.list -np 48 yambo

the yambo.in file is already in the directory

thanks
Wei Li
Institute of theoretical chemistry
Jilin University, PR China
damao4361556
 
Posts: 39
Joined: Wed Dec 16, 2015 8:11 pm

Re: mpirun fails for yambo

Postby Daniele Varsano » Wed Dec 23, 2015 8:18 am

Dear Eric,
it looks that the executable (yambo) it is not in your $PATH variable.
Either you export the path of yambo in the PATH variable,
export PATH=$PATH:/path_to_yambo/
this is in bash and you can write it in your .bashrc.
either you indicated the full path when launching the job:
/opt/openmpi-1.6.5/intel/bin/mpirun -machinefile host.list -np 48 /path_to_yambo/yambo

For this kind of error you can also ask to your system administrator.

Best,
Daniele
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
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Daniele Varsano
 
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Re: mpirun fails for yambo

Postby damao4361556 » Wed Dec 23, 2015 9:24 pm

Dear Daniele

thanks

The path for yambo is already set in the bash_profile file:
which yambo
~/soft/yambo/yambo_12_15/bin/yambo

But the error remains.

I am not sure whether it is due to the wrong config option.

But the yambo code was compilation successfully, and it run well without the parallel computation.
Wei Li
Institute of theoretical chemistry
Jilin University, PR China
damao4361556
 
Posts: 39
Joined: Wed Dec 16, 2015 8:11 pm

Re: mpirun fails for yambo

Postby Daniele Varsano » Thu Dec 24, 2015 8:50 am

Dear Eric,
this problem is not related to yambo itself:
mpirun was unable to launch the specified application as it could not find an executable:

the yambo executable cannot be found, you should ask to your machine administrator.
Best,
Daniele
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/
User avatar
Daniele Varsano
 
Posts: 2060
Joined: Tue Mar 17, 2009 2:23 pm


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