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Python wrapper for Elegant, with Elegant running in an Singularity container.

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tomerten/PyElegant

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Installation:

$ pip install -U git+https://github.com/tomerten/PyElegant.git

Known issues

Runing MPI from withing the singularity container for PElegant sometimes gives errors like toe one below:

Fatal error in PMPI_Init: Other MPI error, error stack:
MPIR_Init_thread(565)..............:
MPID_Init(224).....................: channel initialization failed
MPIDI_CH3_Init(105)................:
MPID_nem_init(324).................:
MPID_nem_tcp_init(178).............:
MPID_nem_tcp_get_business_card(425):
MPID_nem_tcp_init(384).............: gethostbyname failed, nbmachine01 (errno 1)

The way to solve this is to make sure that your terminal hostmname is the same as the one in /etc/hosts/:

127.0.0.1    localhost
127.0.0.1    terminal_host_name

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Python wrapper for Elegant, with Elegant running in an Singularity container.

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