Yambo Community Forum

Sorry. in last message I made a typo

netcdf.h netcdf.hh netcdf.inc netcdf.mod netcdfcpp.h

the above files are included in the /usr/local/include directory.

Dear Jia Li,
what's the message in the config.log regarding
the netcdf libraries? Check if the configure does not find the
or it is a problem of different kind.
The netcdf should be compiled with the same compiler you are using to compile
Yambo, anyway in sp6 it should be the case with the xlf_r xlc_r.

Daniele

Dear Daniele,

I checked the config.log file. The regarding netcdf information is as following:

$ ./configure CC=xlc_r -q64 CPP=cpp F77=xlf_r FC=xlf90_r UFFLAGS=-q64 FCFLAGS=-O2 -q64 -qstrict -qarch=pwr6 -qtune=pwr6 -qmaxmem=-1 -qsuffix=f=f --without-mpi --with-netcdf-lib=/usr/local/lib --with-netcdf-include=/usr/local/include --with-p2y=4.0 --with-iotk=/u/jiali/Code/espresso-4.0.5/iotk --build=powerpc-ibm

"conftest.f", line 2.5: 1514-267 (S) The current program unit has a different setting for the -q64 option than was specified in the module netcdf. Unexpected errors may result.
| use netcdf
"conftest.f", line 2.5: 1514-219 (S) Unable to access module symbol file for module netcdf. Check path and file permissions of file. Use association not done for this module.
| use netcdf
"conftest.f", line 2.5: 1514-219 (S) Unable to access module symbol file for module netcdf. Check path and file permissions of file. Use association not done for this module.
| use netcdf
dnetcdf=''
netcdf='no'

It seems that module netcdf is not compiled with -q64 option.

So should I download netcdf library by myself and comlile it with -q64 option?

Thanks

Jia

Dear Jia,

It seems that module netcdf is not compiled with -q64 option.

Yes, it looks like!!

So should I download netcdf library by myself and comlile it with -q64 option?

It could be the easiest and fastest way to proceed,

Regards,
Daniele

Dear Daniele,

I have downloaded the netcdf library and installed it. Now I compiled the Yambo in serial. And I test the LiF example which is supplied on the Yambo webpage. It works fine.
However, if I want to compile Yambo in parallel, should I also compile the netcdf library in parallel?

Thanks

Jia

Dear Jia,
Yambo does not currently make use of parallellization capabilities in netCDF-4, so you should be able to work fine with a serial netCDF.
Your problem seems to have been with the -q64 options, so I expect the parallel yambo compilation will work fine.
Regards,
Conor