Hi,
this is for version 5.1.0, when no coord file is found, QCxMS should tell the user what to do, instead of a hard crash.
Something like, "No coord inputfile found, please provide input coordinates. "
Tobias
************************************************************
Mode: Electron Impact (EI)
************************************************************
forrtl: No such file or directory
forrtl: severe (29): file not found, unit -130, file /qcxms-runs/coord
Image PC Routine Line Source
qcxms 0000000002A66B58 Unknown Unknown Unknown
qcxms 0000000002A82B62 Unknown Unknown Unknown
qcxms 00000000004837BC read_coordinates_ 54 rdcoord.f90
qcxms 0000000000401E5E MAIN__ 318 main.f90
qcxms 0000000000400DF2 Unknown Unknown Unknown
qcxms 0000000002C92529 Unknown Unknown Unknown
qcxms 0000000000400CCA Unknown Unknown Unknown
JayTheDog
commented
3 years ago
Hi, this is for version 5.1.0, when no coord file is found, QCxMS should tell the user what to do, instead of a hard crash. Something like, "No coord inputfile found, please provide input coordinates. " Tobias