[gmx-users] compile single src file

Eric Smoll ericsmoll at gmail.com
Sun Jun 29 06:41:40 CEST 2014


I have a working gromacs install (in "/home/gromacs/4.5.3") but I am
interested in editing the source and want to start by toying with
individual c files in "src/mdlib." I added a main function to "qm_orca.c"
and tried to compile as follows:

gcc qm_orca.c -o qm_orca -lm

I get a series of errors "undefined reference to `save_calloc'", "undefined
reference to `gmx_fatal'", etc. I am confused because these should all be
in smalloc.h which is covered by the -I flag. What am I missing?

Thank you!

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