Search found 53 matches
- Mon Jul 31, 2017 12:47 pm
- Forum: The CASINO program
- Topic: Too many tokens supplied. Please increase the mdet_max_mods
- Replies: 2
- Views: 31134
Re: Too many tokens supplied. Please increase the mdet_max_m
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...
- Tue Jul 04, 2017 7:28 pm
- Forum: The CASINO program
- Topic: runtime error for 12 determinants wfn
- Replies: 5
- Views: 37351
Re: runtime error for 12 determinants wfn
Hi Vladimir,
The fix is now in the distribution - let me know if things work sensibly now.
Pablo
The fix is now in the distribution - let me know if things work sensibly now.
Pablo
- Sun Jul 02, 2017 8:53 am
- Forum: The CASINO program
- Topic: runtime error for 12 determinants wfn
- Replies: 5
- Views: 37351
Re: runtime error for 12 determinants wfn
Hi Vladimir,
I have located the allocation problem and will submit a fix soon to the main repository.
Thanks,
Pablo
I have located the allocation problem and will submit a fix soon to the main repository.
Thanks,
Pablo
- Thu May 18, 2017 9:11 am
- Forum: The CASINO program
- Topic: Rules for term Rank: [ 3, 1 ]
- Replies: 2
- Views: 30559
Re: Rules for term Rank: [ 3, 1 ]
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
You should be able to merge the two channels with the rule 1-1=2-2=1-2, or equivalently 1=2.
Best,
Pablo
- Wed Dec 28, 2016 4:22 pm
- Forum: The CASINO program
- Topic: getdet script
- Replies: 5
- Views: 30542
Re: getdet script
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...
- Thu Dec 22, 2016 10:23 pm
- Forum: The CASINO program
- Topic: Orbital optimization of the electron-hole system
- Replies: 5
- Views: 30710
Re: Orbital optimization of the electron-hole system
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
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
- Wed Nov 23, 2016 4:34 pm
- Forum: The CASINO program
- Topic: Orbital optimization of the electron-hole system
- Replies: 5
- Views: 30710
Re: Orbital optimization of the electron-hole system
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 ...
- Fri Jan 29, 2016 12:59 pm
- Forum: The CASINO program
- Topic: Something about ewald fortran code
- Replies: 4
- Views: 11150
Re: Something about ewald fortran code
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),...
- Mon Jan 04, 2016 9:41 am
- Forum: The CASINO program
- Topic: generic Jastrow
- Replies: 9
- Views: 17551
Re: generic Jastrow
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
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
- Tue Nov 10, 2015 11:28 am
- Forum: The CASINO program
- Topic: generic Jastrow
- Replies: 9
- Views: 17551
Re: generic Jastrow
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 ...