HopkinsLaboratory / MobCal-MPI

Parallelization of the commonly used MobCal suite to calculate ion mobilities and collision cross sections
GNU General Public License v3.0
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Problem running MobCal #8

Closed steto123 closed 4 months ago

steto123 commented 4 months ago

Now i have succesful compiled Mobcal on different UNIX machines with different fortran compilers. But in all cases mobcal crashes using the following error:

forrtl: severe (43): file name specification error, unit 8, file "Unknown" Image PC Routine Line Source MobCal_MPI_203.ex 0000000000421BE4 Unknown Unknown Unknown MobCal_MPI_203.ex 00000000004044F7 Unknown Unknown Unknown MobCal_MPI_203.ex 00000000004042AD Unknown Unknown Unknown libc.so.6 00007FC514B19D90 Unknown Unknown Unknown libc.so.6 00007FC514B19E40 __libc_start_main Unknown Unknown MobCal_MPI_203.ex 00000000004041C5 Unknown Unknown Unknown

=================================================================================== = BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES = RANK 1 PID 21994 RUNNING AT Idefix = KILLED BY SIGNAL: 9 (Killed)

Only on my private machine i can run mobcal. Can you help please?

ChristianIeritano commented 4 months ago

Hi Steto123,

The first line of your error message is telling you that the code cannot find the input file. Given that you are running v 2.0.3, I suspect you are using the old way of calling an external file that contains the .mfj and .mout. In v2.0.3, the .mfj and .mout are given to MobCal-MPI during job submission as arguments. See below (taken from the GitHub readme):

Changes in v2.0.3

Please let me know if this fixes your issue, and I will close the ticket.

steto123 commented 4 months ago

Hello, i have used my notes for installing and running. So i have not seen the changes. Now it runs .

Many thanks