dear all,

I have to run the QMERA module for geometry optimizition of a deposite model on the compute cluster server. When I ran the job with a script for multi-core parallel computing, it crashed right away with an error that I do not understand(write in the following). I`m sure the job can run sucessfully on my own computer, but for further computation I need to run it on server. And I`m sure I transformed the .csin file and .infrag file to the server.

There are two files recorded the error:

1. The QMERA.log file :

Run QMERA with args =Sisuper.csin -np 24
1540366183 progress -1
1540366185 progress 0
1540366186 status new running
1540366187 progress 100
1540366187 message error QMERA terminated with unknown error status.
1540366187 status new failure-completed

2. The .csout file :

/bin/BIOVIA/MaterialsStudio17.2/bin/QMERA.exe: symbol lookup error: /bin/BIOVIA/MaterialsStudio17.2/bin/QMERA.exe: undefined symbol: i_calloc

I`ve no idea what the "i_calloc" is, and cannot find any meaningful explanation on web.

Actually, I have run a dmol3 job successfully in the same way on the server, but failed for qmera job.

So would you please do me a favor to find out what the posible problem is?

Jack