Out-of-memory error in routine After all major allocation (IEnd= 8313316 MxCore= 8299170)
Use %mem=33MW to provide the minimum amount of memory required to complete this step.
i want to make input file for compound job. as i make input files on windows and then run on linux cluster beacuse i did not install gauss view in my cluster.
11 December 2016 2,698 0 View
the progress of intermediate file during structure optimization for equilibrium points on gaussian
10 November 2016 5,231 3 View
The size of data generated by Ethovision is huge. Having NAS system for data storage seems to be a good option, I am wondering whether Ethovision can directly store the data to the NAS system...
27 February 2021 6,350 2 View
When I run the job for TS(QST3) in gaseous phase, it was completed without any error. But when I add water in CPCM model it terminated with an error: Inconsistency: ModMin= 2 Eigenvalue=...
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Dear friends, I am a beginner at DFT calculation. I have done a structure optimization using DFT- B3LYP/6-31G*, Nevertheless, I don't know How to calculate the Atomic Polar Tensor (APT) in...
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I have given Elastic and Superelastic material properties, but I think we need to provide the damage parameters also. Please help me here.
16 February 2021 8,694 1 View
Hello everyone, I want to perform some gaussian calculations and want to use Materials studio for my research work. Can anyone guide me how to get access to supercomputer resources in India for...
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Support vector machine
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DFT - gaussviev - gaussian09W - HOMO - LUMO
08 February 2021 6,012 5 View
Hello everyone, In my study, I asked participants to write 3 different memories. After collecting data, 2 raters coded these memories. Now I have 3 columns for the first rater and 3 columns for...
06 February 2021 7,463 8 View
I am trying to find methods for theoretical calculation of enthalpy of formation of Polymers. till now I have found the oligomeric method (Gaussian) which uses the extrapolation of results from...
05 February 2021 9,707 4 View
Dear all, I am trying to optimize a bimetallic complex using # opt=tight b3lyp/lanl2dz scf=qc geom=connectivity. The program is running for around 5 days but the size of the .chk remains same...
05 February 2021 8,721 3 View