The CASINO forum

Hi s.nasiri, Since v2.13.617 (4-July-2017) mdet_max_mods has been increased to 10,000 in the CASINO source. This value gives the length of a fixed-size vector, which you can increase reasonably without side effects -- the memory used by the vector in question is linear in this number, so you are unl...

Hi Vladimir,

The fix is now in the distribution - let me know if things work sensibly now.

Pablo

Hi Vladimir,

I have located the allocation problem and will submit a fix soon to the main repository.

Thanks,
Pablo

Hi Vladimir,

You should be able to merge the two channels with the rule 1-1=2-2=1-2, or equivalently 1=2.

Best,
Pablo

Hi s.nasiri, I have not used getdet, but the error message suggests that perl is not installed in the location given in the first line of the getdet script. Could you delete the first line of the script so that the second line becomes the first, i.e., change #!/usr/local/shared/bin/perl -w #!/usr/bi...

Hi Braulio,

Try re-running your DMC calculation starting with as many VMC configurations as the target DMC population, i.e., set vmc_nstep and vmc_nconfig_write to 1024 rather than 128.

Best,
Pablo

Hi braulio, I don't fully understand what you are trying to do, but there are publicly-available input/output files for the CASINO calculations reported in the paper you mention, as indicated in the acknowledgments, see http://dx.doi.org/10.17863/CAM.565 . These include optimized wave functions for ...

Hi Yecheng, Referring to an element of a contiguous array is one way of passing array arguments in Fortran, which results in the called subroutine receiving the array starting at the element in question, not just the element. The call you quote is equivalent to: call ewald_2d(ie-1,vecji(1:4,1:ie-1),...

Hi Vladimir,

Just so you know, there is a fix from December 20th in the current CASINO beta for varmin_linjas + gjastrow which fixes the problem you were seeing.

Best wishes,
Pablo

But when varmin_linjas supports in generic Jastrow will be available? At the moment, one can start the calculation with this option but the result is incorrect (energy oscillates). I'm not aware of any problems with varmin_linjas and the gjastrow. Could you send me the input files to reproduce the ...