search

TRIQS / triqs_0.x

DEPRECATED -- This is the repository of the older versions of TRIQS
Other
11 stars 9 forks source link

Problem about python_with_DMFT #77

Closed leshunar closed 12 years ago

leshunar commented 12 years ago

Hi. I'm an WIEN2k user (VERSION_11.1) and have installed TRIQS. (I used intel compiler, and no error occured)

When I run run_lapw -qdmft, below message appears.

mpirun was unable to launch the specified application as it could not access or execute an executable:

Executable: ./python_with_DMFT Node: hpc

while attempting to start process rank 0.

forrtl: severe (24): end-of-file during read, unit 32, file /home/leshunar/Ce-gamma/Ce-gamma.qdmft Image PC Routine Line Source
lapw2 00000000005874ED Unknown Unknown Unknown lapw2 0000000000585FF5 Unknown Unknown Unknown lapw2 00000000004D1CB9 Unknown Unknown Unknown lapw2 000000000048B3BA Unknown Unknown Unknown lapw2 000000000048ABB0 Unknown Unknown Unknown lapw2 00000000004AFCFA Unknown Unknown Unknown lapw2 00000000004118DC qdmft_mp_readdata 56 qdmfttmp.F lapw2 00000000004640EC MAIN__ 215 lapw2tmp.F lapw2 000000000040542C Unknown Unknown Unknown libc.so.6 000000316E61D994 Unknown Unknown Unknown lapw2 0000000000405339 Unknown Unknown Unknown

I think the file 'python_with_DMFT' should be in the work directory. (Actually, I couldn't find it anywhere...) I read 'Introduction to dmftproj (by V. Vildosola, L. Pourovskii, C. Martins, M. Aichhorn)', but it doesn't contain any information about the file.

So... I wonder how can I get the file. Could you help me...? Any comment will be very helpful for me.

aichhorn commented 12 years ago

Dear leshunar, There is a slight inconsistency between the Wien2k 11.1 version and the current version of TRIQS. When Wien11.1 was released, the executable was called indeed python_with_DMFT. But this changed with TRIQSv0.8. You can easily fix the issue by modifying the run_lapw file of Wien2k. Replace all occurances of 'python_with_DMFT' by 'pytriqs', make sure that the executable pytriqs is in your PATH (or copy the executable into your working directory), then it should work.

leshunar commented 12 years ago

Dear Aichhorn, Now it works! Thank you very much for your help♧