The CASINO forum

Hi Samaneh,

Given that you are generating the trial wave function with PWSCF, then all this is spelled out in great detail in section 8.8 of the manual (linked top left). Is there something in particular that is not clear?

Best wishes,
Mike

OK - the current beta CASINO v2.13.95 (downloadable from the website) now contains this fix. If my suspicion is correct, your problem should go away). Let me know if it does or not.

M.

I have occasionally encountered this problem on the Polaris cluster in Leeds. The problem is not reproducible (a job that fails can simply be resubmitted). I don't think it is a problem with CASINO; it is more likely to be a problem with the filesystem on Polaris. We could perhaps reduce the chance...

Sorry.

At the top of the read_ppots.d90 routine, change the line:

USE parallel, ONLY : am_master

to

USE parallel, ONLY : am_master,my_node

No problem - just use a different binary name.

Make the change to ppots.f90 then:

cd CASINO/src
make EXECUTABLE=casino_test

then use

runqmc --binary=casino_test -p 512 -T 48h -s etc..

To restart for example a DMC calculation, all the required files are present in my directory. I only change config.out to "config.in", newrun to "F" and runtype to "dmc_stats". Then I restart running it. Sometimes it running without problem and occasionally it stops wi...

Also - it would help to have the exact error code so we know what the thing is whining about. Find the following block of code in CASINO/src/ppots.f90 open(io_pp,file=psp_filename,status='old',iostat=ierr) if(ierr/=0)call errstop('READ_PPOTS','Error opening '//trim(psp_filename)& &//' file.'...

Sorry for confusion. I mean, always there is no problem at the beginning of the calculation but it occasionally stops when I restart it after running out of time and sometimes I can restart it without any error. Describe to me exactly the (presumably manual) process you use to restart the calculati...

>It usually stops when I restart after run out of time. OK - when you say 'usually', do you mean that sometimes it stops at the beginning of the calculation? If it does, then the whole business of restarts is irrelevant, and your question can be boiled down to 'Why does CASINO sometimes stop when i...

I am using runqmc -p 512 -T 48h. When it runs out of time, .err and .runqmc.lock are present in the directory while they are not created while it stops with Error. I do not know if I answered your question. No, maybe I'm being dense, but I don't think you did. Let's try again. First of all note tha...