Vampire not running

[Sourav Rudra]

Dear developers,

I an new to Vampire code.I have calculated J from TB2J package and it developed a folder named as Vampire. But the code is not running properly in my system.can you help me in figuring out the issue? I have attached TB2J outputs and vampire input files.

I was running with mpirun -np 20 vampire-parallel

This is the error that i have encountered.

Thanking you

Sourav Rudra

[gabo...@gmail.com]

The only indication of a problem that I've noticed is the message:

mpirun notices that the process rank 3 with PID 0 on node *-TR4 exited on signal 9 (Killed)

That looks like a computer cluster issue and not a VAMPIRE calculation issued.  Talk to the system administrator or help desk of your computer cluster.

Possible causes of that message may be running out of memory for job, such that the OS kills the job, or running out of walltime allocated for the job, such that the job is killed, as mentioned at the following link:

https://forum.abinit.org/viewtopic.php?f=14&t=95

Kind Regards,

Gavin

VAMPIRE user

[Richard Evans]

Hi Sourav,

As Gavin says its a memory issue. The problem is the 1A unit cell size in the ucf file, leading to a very large number of atoms generated. Also, vampire does not yet support non-orthogonal unit cells due to a complication with the parallelisation.

Best,

Richard 

I was running with mpirun -np 20 vampire-parallel<7.PNG>

This is the error that i have encountered.

Thanking you

Sourav Rudra 

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<7.PNG>

[Sourav Rudra]

hello, I have some doubts regarding some tags, like some tutorial videos on youtube i have seen time-step =1E-16 and in another time-step = 1 !fs. so which one is correct?

secondly time-steps-increment=1 total-time-steps=10000000 what is the meaning of these tags?

Also for calculating Neel temperature of antiferromagnetic system program:curie-temperature and integrator: monte-carlo or llg-henu are good?

Thanking you

Sourav

[Sourav Rudra]

Also I want to calculate susceptibility of the system using output:mean-susceptibility tag. so in that case is damping-constant= 1.0 in .mat file  valid or i have to remove it or taking small damping constant like 0.01? and if i do not put initial spin direction is not random  is it problematic in calculating susceptibility?