BerkeleyGW Compilation on Lawrencium

[Rui Liu]

Hello BerkeleyGW Team,

It may sound unusual, but I need to compile BerkeleyGW on Lawrencium in 2025. I've tried using various lawrencium_*.mk files as the arch.mk, but it appears that most, if not all, of the required modules are currently unavailable on Lawrencium. Despite my best efforts, every compilation attempt results in errors (see details below as one example). Does anyone have suggestions or solutions for getting BerkeleyGW to compile successfully on Lawrencium recently? Any advice would be greatly appreciated. Thank you!

Module loaded: 

1. intel-oneapi-mpi/2021.10.0 

2. hdf5/1.12.2 

3. intel-oneapi-compilers/2023.1.0 

arch.mk: cp config/lawrencium_hdf5.mk arch.mk

Errors:

gfortran: error: unrecognized command line option ‘-no-prec-div’; did you mean ‘-fno-tree-dce’? 

gfortran: error: unrecognized command line option ‘-module’; did you mean ‘-mhle’? make[3]: *** [Common/common-rules.mk:294: Common/nrtype_m.mod] Error 1 

gfortran: error: unrecognized command line option ‘-no-prec-div’; did you mean ‘-fno-tree-dce’? 

gfortran: error: unrecognized command line option ‘-module’; did you mean ‘-mhle’? make[3]: *** [Common/common-rules.mk:294: Common/lapack_m.mod] Error 1

gfortran: error: unrecognized command line option ‘-no-prec-div’; did you mean ‘-fno-tree-dce’? 

gfortran: error: unrecognized command line option ‘-no-prec-div’; did you mean ‘-fno-tree-dce’? 

gfortran: error: unrecognized command line option ‘-module’; did you mean ‘-mhle’?

gfortran: error: unrecognized command line option ‘-module’; did you mean ‘-mhle’? make[3]: *** [Common/common-rules.mk:294: Common/blas_m.mod] Error 1 make[3]: *** [Common/common-rules.mk:294: Common/scalapack_aux_m.mod] Error 1 

gfortran: error: unrecognized command line option ‘-no-prec-div’; did you mean ‘-fno-tree-dce’? 

gfortran: error: unrecognized command line option ‘-module’; did you mean ‘-mhle’?

Best,

Rui

[Mauro Del Ben]

Hi Rui,

On LRC, load the modules:

module load gcc ; module load openmpi  ; module load intel-oneapi-mkl ; module load hdf5/1.14.3

And use the arch.mk in attachment.

Best

-M

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[Rui Liu]

Thank you so much!

[Rui Liu]

Hi Mauro,

I have a follow-up question, I also want to send a job to Einsteinium cluster, should I change arch.mk to enable GPU?

Best,

Rui