5.25. ALAMODE¶
Following version is available.
version |
module |
execution queue |
|---|---|---|
1.5.0 |
/work/app/ALAMODE/alamode-v1.5.0/build/alm/alm /work/app/ALAMODE/alamode-v1.5.0/build/anphon/anphon |
P_030 TP_002 MP_001 CP_001 DP_002 S_001 CS_001 |
Attention
Execute following command in advance.
module load oneapi/2025.3.1
Job Submission Script
#!/bin/sh
#PBS -l select=nodes
#PBS -q queue
#PBS -N jobname
module -s load oneapi/2025.3.1
cd ${PBS_O_WORKDIR}
mpirun [ -np total tasks ][ -ppn MPI tasks per node ] -hostfile $PBS_NODEFILE /work/app/ALAMODE/alamode-v1.5.0/build/anphon/anphon > output file 2> error file
Example
alm
#!/bin/sh
#PBS -l select=1
#PBS -q P_030
#PBS -N alamode
module -s load oneapi/2025.3.1
export OMP_NUM_THREADS=2
cd ${PBS_O_WORKDIR}
/work/app/ALAMODE/alamode-v1.5.0/build/alm/alm alm.in > alm.out 2> alm.err
anphon
#!/bin/sh
#PBS -l select=1
#PBS -q P_030
#PBS -N alamode
module -s load oneapi/2025.3.1
cd ${PBS_O_WORKDIR}
mpirun -np 112 -ppn 112 -hostfile $PBS_NODEFILE /work/app/ALAMODE/alamode-v1.5.0/build/anphon/anphon anphon.in > anphon.out 2> anphon.err