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Error when using rna_denovo in TACC stampede2 HPC

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Error when using rna_denovo in TACC stampede2 HPC
#1

Hi,

I'm totally new to using Rosetta and TACC. when I tried to use rna_denovo.cxx11mpi.linuxiccrelease in TACC, it pops up an error:

" protocols.jd3.JobDistributorFactory: (0) [ ERROR ] JD3 cannot be used with MPI but without serialization; you must add "extras=mpi,serlization" to your ./scons.py build command "

I did some search on the forum and one suggested using another program with a different extension, but TACC only have "cxx11mpi.linuxiccrelease" version.

Thank you for your input.

 

my sbatch script is:

"

#!/bin/bash

#SBATCH -J RosettaRun_%j   # job name

#SBATCH -o myMPI.o%j       # output and error file name (%j expands to jobID)

#SBATCH -e myMPI.e%j

#SBATCH -N 1

#SBATCH -n 16              # total number of mpi tasks requested

#SBATCH -p normal          # queue (partition) -- normal, development, etc.

#SBATCH -t 00:30:00        # run time (hh:mm:ss) - 1.5 hours

#SBATCH --mail-user=username@example.com

#SBATCH --mail-type=fail   # email me if the job fails

 

module load intel/18.0.2

module load impi/18.0.2

module load rosetta

 

#Alter the job control above as desired and then use "ibrun" to launch your jobs

 

ibrun rna_denovo.cxx11mpi.linuxiccrelease @ flags

"

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Thu, 2021-11-18 10:31
lsong2