Issues to run dnp examples

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Khalil
Posts: 12
Joined: Fri Sep 10, 2021 11:15 am

Issues to run dnp examples

Post by Khalil »

Dear Spinach users,
I tried to run an example from dnp folders (dnp_liquids or dnp_solids) but I am getting error messages. I am using MATLAB R2001a.
When running this solid_effect_freq_scan_1 example I am getting this error messages below.

Running startup checks...
[solid_effect_freq_scan_1 > create ] scratch location: D:\spinach_2_6_5625\scratch
[solid_effect_freq_scan_1 > create > banner ]
[solid_effect_freq_scan_1 > create > banner ] ============================================
[solid_effect_freq_scan_1 > create > banner ] = =
[solid_effect_freq_scan_1 > create > banner ] = SPINACH v2.6 =
[solid_effect_freq_scan_1 > create > banner ] = =
[solid_effect_freq_scan_1 > create > banner ] = author list =
[solid_effect_freq_scan_1 > create > banner ] = =
[solid_effect_freq_scan_1 > create > banner ] = documentation =
[solid_effect_freq_scan_1 > create > banner ] = =
[solid_effect_freq_scan_1 > create > banner ] = MIT License =
[solid_effect_freq_scan_1 > create > banner ] = =
[solid_effect_freq_scan_1 > create > banner ] ============================================
[solid_effect_freq_scan_1 > create > banner ]
[solid_effect_freq_scan_1 > create > tolerances ] Drop interaction tensors with 2-norms below (Hz) 1.00000000e-10 (safe default)
[solid_effect_freq_scan_1 > create > tolerances ] Drop Liouvillian elements with norm below (rad/s) 1.00000000e-10 (safe default)
[solid_effect_freq_scan_1 > create > tolerances ] Drop propagator elements with norm below 1.00000000e-10 (safe default)
[solid_effect_freq_scan_1 > create > tolerances ] Drop subspaces with populations below 1.00000000e-06 (safe default)
[solid_effect_freq_scan_1 > create > tolerances ] Drop irreps with populations below 1.00000000e-10 (safe default)
[solid_effect_freq_scan_1 > create > tolerances ] Disconect subspaces with cross-terms below (rad/s) 1.00000000e-10 (safe default)
[solid_effect_freq_scan_1 > create > tolerances ] Number of time steps in ZTE sample 32 (safe default)
[solid_effect_freq_scan_1 > create > tolerances ] ZTE track drop threshold 1.00000000e-24 (safe default)
[solid_effect_freq_scan_1 > create > tolerances ] ZTE off for state vector densities above 0.5 (safe default)
[solid_effect_freq_scan_1 > create > tolerances ] Drop dipolar couplings over more than (Angstrom) 100 (safe default)
[solid_effect_freq_scan_1 > create > tolerances ] Krylov propagation for dimensions above 10000 (safe default)
[solid_effect_freq_scan_1 > create > tolerances ] Basis set printing hush threshold 256 (safe default)
[solid_effect_freq_scan_1 > create > tolerances ] Collect small subspaces into bundles of dimension 1000 (safe default)
[solid_effect_freq_scan_1 > create > tolerances ] Force sparse algebra for matrix density below 0.15 (safe default)
[solid_effect_freq_scan_1 > create > tolerances ] Force full algebra for matrix dimension below 200 (safe default)
[solid_effect_freq_scan_1 > create > tolerances ] Rel. acc. for the elements of Redfield superoperator 1.00000000e-04 (safe default)
[solid_effect_freq_scan_1 > create > tolerances ] Matrix exponential differentiation algorithm auxmat (safe default)
[solid_effect_freq_scan_1 > create > tolerances ] Number of PBC images for DD couplings in PBC systems 2 (safe default)
[solid_effect_freq_scan_1 > create > tolerances ] Number of days before a cache record is deleted 30 (safe default)
[solid_effect_freq_scan_1 > create > tolerances ] Planck constant (hbar) 1.05457182e-34
[solid_effect_freq_scan_1 > create > tolerances ] Boltzmann constant (k) 1.38064900e-23
[solid_effect_freq_scan_1 > create > tolerances ] Free electron g-factor 2.00231930e+00
[solid_effect_freq_scan_1 > create > tolerances ] Vacuum permeability 1.25663706e-06
[solid_effect_freq_scan_1 > create > tolerances ] Bohr magneton 9.27401008e-24
[...ffect_freq_scan_1 > create > cacheman > grumble ] expected scratch directory location:
[...ffect_freq_scan_1 > create > cacheman > grumble ] D:\spinach_2_6_5625\scratch
Error using cacheman>grumble (line 63)
the scratch directory does not appear to exist.

Error in cacheman (line 15)
grumble(spin_system);

Error in create (line 151)
if ~isworkernode, cacheman(spin_system); end

Error in solid_effect_freq_scan_1 (line 53)
spin_system=create(sys,inter);


Any suggestions or help are much appreciated.
Many thanks
kuprov
Posts: 123
Joined: Mon Mar 29, 2021 4:26 pm

Re: Issues to run dnp examples

Post by kuprov »

Does the scratch directory exist?
Khalil
Posts: 12
Joined: Fri Sep 10, 2021 11:15 am

Re: Issues to run dnp examples

Post by Khalil »

Hi Ilya
You mean in the spinach_2_6_5625 folder ? If it's the case it doesn't exist, I looked in all the folders in spinach main folder. unless if I have misunderstood.
many thanks four you assistance.
Regards
kuprov
Posts: 123
Joined: Mon Mar 29, 2021 4:26 pm

Re: Issues to run dnp examples

Post by kuprov »

There must be a folder on your system called D:\spinach_2_6_5625\scratch - it was supposed to have been created when you unpacked the archive, but apparently it's no longer there. You need to create it.
Khalil
Posts: 12
Joined: Fri Sep 10, 2021 11:15 am

Re: Issues to run dnp examples

Post by Khalil »

Hi Ilya,
I created a scratch folder and this has solved the problem!!
Many thanks again.
Regards
kuprov
Posts: 123
Joined: Mon Mar 29, 2021 4:26 pm

Re: Issues to run dnp examples

Post by kuprov »

No probs; I updated the next version - it will do that automatically.
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