Search found 15 matches

by Sharma_Omprakash
Thu Aug 29, 2019 7:28 am
Forum: The CASINO program
Topic: Errors during casino installation (v2.13.802-1-g198d8d47)
Replies: 3
Views: 14471

Re: Errors during casino installation (v2.13.802-1-g198d8d47

Thank you and Mike very much.

Regards,
Rajesh
by Sharma_Omprakash
Wed Aug 28, 2019 10:01 am
Forum: The CASINO program
Topic: Errors during casino installation (v2.13.802-1-g198d8d47)
Replies: 3
Views: 14471

Errors during casino installation (v2.13.802-1-g198d8d47)

Dear CASINO developers, I am getting following errors during installation of CASINO's new latest beta version v2.13.802-1-g198d8d47 into laptop. make[2]: *** No rule to make target '/home/.../CASINO/utils/plot_expval/constants.f90', needed by '/home/rajesh/CASINO/utils/plot_expval/../zlib/linuxpc-gn...
by Sharma_Omprakash
Fri Mar 31, 2017 6:11 am
Forum: The CASINO program
Topic: Optimization of pairing orbitals for symmetric e-h bilayer.
Replies: 5
Views: 15150

Re: Optimization of pairing orbitals for symmetric e-h bilay

Thank you for your reply. The energies are bouncing about by rather more than the statistical error bars on the individual VMC calculations, but that is not unexpected since there is noise due to the reoptimisation of the parameters. Please give me some idea how to avoid the noise due to reoptimizat...
by Sharma_Omprakash
Thu Mar 16, 2017 9:10 am
Forum: The CASINO program
Topic: Optimization of pairing orbitals for symmetric e-h bilayer.
Replies: 5
Views: 15150

Re: Optimization of pairing orbitals for symmetric e-h bilay

Hi CASINO User,
Please give me some suggestions.

Thanks and regards,
Rajesh Sharma
by Sharma_Omprakash
Tue Mar 07, 2017 6:19 am
Forum: The CASINO program
Topic: Regarding walltime for long queue
Replies: 9
Views: 21535

Re: Regarding walltime for long queue

Hi Vinod, Add following line into your Head Scrip of casino. -pe mpich &NPROC& e.g. #-! SCRIPT_HEAD: #-! #!/bin/bash #-! #$ -N &SCRIPT& #-! #$ -pe mpich &NPROC& #-! #$ -cwd #-! #$ -S /bin/bash #-! #$ -e &OUT& #-! #$ -o &OUT& #-! export PATH="&ENV.PATH...
by Sharma_Omprakash
Fri Mar 03, 2017 11:29 am
Forum: The CASINO program
Topic: Optimization of pairing orbitals for symmetric e-h bilayer.
Replies: 5
Views: 15150

Optimization of pairing orbitals for symmetric e-h bilayer.

Dear CASINO users, I am optimizing the pairing trial wave function for symmetric electron-hole bilayer at rs=5 d=1 a.u.. I have used the Gaussian pairing orbital and constrain the parameters so that they correspond to the Gaussian expansion of an exponential (sec. 7.4.8 of manual) in which case Rex ...
by Sharma_Omprakash
Sun Jan 08, 2017 5:08 pm
Forum: The CASINO program
Topic: runqmc stops without any error.
Replies: 7
Views: 19084

Re: runqmc stops without any error.

Dear Sir, Thank you for your reply. Is it possible that some other issue on your computer caused the job to halt? I have been looking for it, I feel like this issue may be related to Ubuntu 16.04/gfortran5.4.0 since I have tried to run the same jobs on the other PC with the same configurations as me...
by Sharma_Omprakash
Sun Jan 08, 2017 7:09 am
Forum: The CASINO program
Topic: runqmc stops without any error.
Replies: 7
Views: 19084

Re: runqmc stops without any error.

How do you know that it stops before the end?
I have set the opt_cycles = 100 , but before it finish all cycles stopped at 5th cycle as you can see in the OUT file. And This happened many times.
by Sharma_Omprakash
Sat Jan 07, 2017 5:51 pm
Forum: The CASINO program
Topic: runqmc stops without any error.
Replies: 7
Views: 19084

Re: runqmc stops without any error.

Hi Katharina

Here I have attached the input and out put file for electron-hole bilayer.
Thank
Rajesh