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I don't see this is anything to worry about. In the region you say you're concerned with between 2 and 11 million steps we see a variation in EBEST of something like 0.00075 au. According to your reblock plot, the final error bar after 11 million moves is something like 0.0003 au (about half the EB...

Ok. As for equilibration, this is a plot for the whole calculation: http://www.mediafire.com/view/oixdyfhc85lq6cf/equil1.png (as you probably notice, I'm using gnuplot, but this is just because there was no Grace at Supernova) Close-up of the beginning: http://www.mediafire.com/view/5q167c1c11dv2ft/...

The output of which ve_helper is ~/casino/bin_qmc/ve_helper , so it probably is where it should be. As for cross-compliers, the problem is that it was not me who installed CASINO there, so I don't know, but I'll try to get to know this. The CASINO_ARCH is set to linuxpc-gcc-pbs-parallel, so a generi...

Ok. The input file (this is continuation of previous calculation, but I think I did not change the VMC parameters): #-------------------# # CASINO input file # #-------------------# # # SYSTEM neu : 44 #*! Number of up electrons (Integer) ned : 43 #*! Number of down electrons (Integer) periodic : F ...

Well, in fact it wasn't me who solved this, it was a girl from our group, who is much more a computer geek than I am (and probably she saw CASINO for the first time).

I noticed that in my DMC calculation there is a problem with eqilibration. For example, a structure made of 13 C atoms and 9 H atoms (all-electron, not periodic), seems to equilibrate after 250 000 steps (with dmc_ave_period set to 100), and the the EBEST is roughly constant. The problem is this &qu...

Ok. This was a problem with my machine. Before installing Casino I tried to install MPI using by installing packages libcr-dev, mpich2 and mpich2-doc. It turned out that after uninstalling them, and then installing all the needed software using Casino install script, Casino works.

I installed beta on PC. These warnings during compliation did not appear, and there were no other problems with compilation. The sequential version (linuxpc-gcc) seems to work. The parallel one (linuxpc-gcc-parallel) has the same problem as before - it seems as if it is launching multiple instances ...

I downloaded Casino and installed it on two computers, both with Xubuntu 13.10. In both cases, the following warning was encountered during the compilation. /home/varelse/programs/CASINO/utils/wfn_converters/gp/jeep_io.c: In function ‘readwf1_’: /home/varelse/programs/CASINO/utils/wfn_converters/gp/...

Well, it should be linear if the timestep is small enough.