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Input/output error: .prisms_jobs

4

++ status: complete next task: None mv run.final Complete VASP job: /pscratch/sd/v/voz5005/RuO2/casm/211/srun64/casm/training_data/SCEL2_2_1_1_0_0_1/6/calctype.default/run.final rm: gzip: Traceback (most recent call last): File "", line 1, in File "/global/homes/v/voz5005/.conda/envs/casm/lib/python3.9/site-packages/casm/vaspwrapper/relax.py", line 122, in run...

sjtuzhanglei

If there are conflicting configs during `casm update`, the one that is chosen does not get `"is_new_best" : true` in the report. This also happens in update_config_unstable. This means that...

xivh

CASM Update issue: invalid coordiante mode: Direct

6

Dear CASM developers, The Direct mode is not supported? casm update -- Read: Settings -- { "force" : false, "mapping" : { "cost_tol" : 0.000010000000, "fix_lattice" : false, "fix_volume" :...

sjtuzhanglei

Casm error: usr/bin/grep: libcasm: No such file or directory

4

Hello I was trying to run casm-learn -s fit_1_ga.json but I am getting "Loading fit_1_ga.json # Hall of Fame size: 25 # Get problem data... # wHullDist: Will calculate hull...

pandeydhanshree

magnetic cluster expansion

4

Recently, I saw a literature about the chemical and magnetic degrees of freedom of (Mn,Fe)Ru2Sn system. DOI: 10.1103/PhysRevMaterials.3.104411. However, I have some doubts need to be solved: (1)When we study...

wshao1995

Error after the static run

2

++ status: complete next task: None mv run.final Complete VASP job: /pscratch/sd/v/voz5005/RuO2/casm/211/srun64/casm/training_data/SCEL1_1_1_1_0_0_0/1/calctype.default/run.final rm: gzip: Traceback (most recent call last): File "", line 1, in File "/global/homes/v/voz5005/.conda/envs/casm/lib/python3.9/site-packages/casm/vaspwrapper/relax.py", line 122, in run...

sjtuzhanglei

Error while analyzing DFT/cluster expansion convex hull

9

Hello I followed from issue #320 and was trying to execute some of the commands like "ccasm select -c train --set on_hull" and "ccasm query -c train -k on_clex_hull" but...

pandeydhanshree

VASP Freeze error

2

Dear CASM developers, CASM seems can detect the time taken for relaxation loop, and if it beyond a certain threshold, CASM will think VASP is frozen and kill the job?...

sjtuzhanglei

How to enable selective dynamics in POSCAR?

11

As the title said, where I could set this functionality in CASM? This selective dynamics is absent in prim.json, I am not sure where I could add it. Thanks!

sjtuzhanglei

casm update not adding properties for non-default calctype

3

When a new calctype is created, it has no "required_properties", such that running `casm update` will not actually insert calculated data into the config_props.json database like it does for the...

jonaskaufman