Commit ed23a3c5 authored by Your Name's avatar Your Name
Browse files

update sis_cscl.bkr for according to sis.py change

parent 0c2b4e0d
...@@ -590,7 +590,6 @@ ...@@ -590,7 +590,6 @@
"evaluator": "IPython", "evaluator": "IPython",
"input": { "input": {
"body": [ "body": [
"from nomad_sim.sis import estimate_calculation_expense",
"import random", "import random",
"import string", "import string",
"import os", "import os",
...@@ -666,8 +665,6 @@ ...@@ -666,8 +665,6 @@
"sis_control = {'local_paths':Local_paths, 'remote_run':Remote_run, 'parameters':Parameters}", "sis_control = {'local_paths':Local_paths, 'remote_run':Remote_run, 'parameters':Parameters}",
"", "",
"", "",
"",
"estimate_calculation_expense(sis_control,feature_list)",
"if int(beaker.n_comb)==3:", "if int(beaker.n_comb)==3:",
" sis_control['remote_run']['mpi_command'] = 'mpirun -np 5'", " sis_control['remote_run']['mpi_command'] = 'mpirun -np 5'",
"", "",
...@@ -684,7 +681,7 @@ ...@@ -684,7 +681,7 @@
"elapsedTime": 1617 "elapsedTime": 1617
}, },
"evaluatorReader": true, "evaluatorReader": true,
"lineCount": 83, "lineCount": 80,
"tags": "calc_cell" "tags": "calc_cell"
}, },
{ {
...@@ -1140,8 +1137,6 @@ ...@@ -1140,8 +1137,6 @@
"evaluator": "IPython", "evaluator": "IPython",
"input": { "input": {
"body": [ "body": [
"",
"",
"from nomad_sim.wrappers import get_json_list, calc_descriptor ", "from nomad_sim.wrappers import get_json_list, calc_descriptor ",
"from nomad_sim.wrappers import calc_model, calc_embedding, plot", "from nomad_sim.wrappers import calc_model, calc_embedding, plot",
"from nomad_sim.utils_crystals import create_supercell", "from nomad_sim.utils_crystals import create_supercell",
...@@ -1150,7 +1145,6 @@ ...@@ -1150,7 +1145,6 @@
"from nomad_sim.utils_crystals import substitute_atoms", "from nomad_sim.utils_crystals import substitute_atoms",
"from nomad_sim.descriptors import XrayDiffraction", "from nomad_sim.descriptors import XrayDiffraction",
"from nomad_sim.utils_crystals import create_supercell", "from nomad_sim.utils_crystals import create_supercell",
"from nomad_sim.sis import estimate_calculation_expense",
"", "",
"# hack to change to local/Beaker mode in all files in the packages", "# hack to change to local/Beaker mode in all files in the packages",
"# DEPRECATED", "# DEPRECATED",
...@@ -1241,7 +1235,7 @@ ...@@ -1241,7 +1235,7 @@
"height": 1206 "height": 1206
}, },
"evaluatorReader": true, "evaluatorReader": true,
"lineCount": 89, "lineCount": 86,
"tags": "calc_cell" "tags": "calc_cell"
}, },
{ {
......
Markdown is supported
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment