Erros calculating the raman spectra


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SOLUTION
Normally these types of errors occur when the jobs are not being properly run. Make sure that you are running an appropriate number of tasks per each computing node you are requesting, don't run to many on a single node for this reduces the available memory for each one of them.
Also, don't have multiple jobs reading and writing at the same time from the same files. This may happen for example, when dependencies are not properly setted up.