francesco086/HswfQMC

Default input files placed by the script produce error.

Closed this issue · 2 comments

I followed the steps in the readme and besides the svn issue everything went smoothly, until the point of actually executing the program with the input files placed by set_dir.

  1. I dont have a HswfQMC_exe but rather a HswfQMC_qc executable. If this is as intended the readme is erroneous at that point.
  2. It seems like there are input variables left which are not set in the input file, resulting in the end of file error. I didnt change anything in the input files, just wanted to test if the program runs (and thought the default input files would allow this). Do you know which variable is missing?

mpirun HswfQMC_qc

At line 41 of file module_dati_mc.f90 (unit = 2, file = 'dati_mc.d')
Fortran runtime error: End of file

  1. my bad, I forgot to reset the Makefile at the standard form before committing. If you open it you can see QUICK_COMPILE=true (which remove the optimization flags. the _qc stands for quick compile). This should be set to false.

  2. that's really strange... I checked it out but it appears that all variables are there.
    I will have a look on it tomorrow.

  1. The problem was in the file dati_mc.d, where the namelist was named dati_simulazione_mc rather than dati_mc (I changed it recently for being more consistent). I fixed the problem and commited.
    PS: in the meantime I also changed the pilot script so that now it is possible to set_path again in order to update the .bashrc file. In this way if new functionalities are added they will appear with autocompletation.