Troubleshooting
An Error Is Reported During MiniDFT Compilation
Symptom
An error message "pwscf.f90:(.text+0x20): undefined reference to `dfftw_init_threads" is displayed during MiniDFT compilation.
Possible causes
FFTW does not have the threads module.
Procedure
Recompile FFTW and add the --enable-threads parameter during compilation. For details, see 4.
Problem 2: An Error is Reported When the MiniDFT Is Run
Symptom
When large.in is run, "mpirun noticed that process rank 84 with PID 0 on node XA320V2-48 exited on signal 11 (Segmentation fault)" is reported.
Possible causes
The software is memory consuming, causing shortage of memory resources.
Procedure
Increase the memory capacity or use a small small.in computing instance.
Parent topic: MiniDFT 1.1.1 Porting Guide (CentOS 7.6)