Ok,
the patch is approved!
However, regarding the initial question, I had to remove also "USE_EAF" macro in the "src/tce/tensor_read_write.F"; and I modified the ccsd_energy_loc.F where I added these lines after line 180:
if (write_ta .and.(mod(iter,save_interval).eq.0)) then
if(nodezero) then
write(LuOut,*) 'Saving Amplitudes now...'
endif
call util_file_name0('t1amp',.false.,.true.,filename,fldgts)
unitn=79
call write_tensor(filename,d_t1,size_t1,unitn)
call util_file_name0('t2amp',.false.,.true.,filename,fldgts)
unitn=80
call write_tensor(filename,d_t2,size_t2,unitn)
call ga_sync()
endif
One can then use the following input:
set tce:writeint t
set tce:readint f
set tce:writet t
set tce:readt f
set tce:save_interval 10
set tce:tceiop 2048
set tce:nts t
to save the amplitudes every 10 iterations. I think that's useful.
best,
Christopher
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