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 2,795 0 View
the progress of intermediate file during structure optimization for equilibrium points on gaussian
10 November 2016 5,272 3 View
I'm trying to perform a frequency calculation using Gaussian via MOBAXterm. The output shows no errors, however, there's no frequency as a result on gausview. The option "vibrations" is not...
31 July 2024 631 4 View
How can we calculate the percentage of configuration interaction (CI) in the UV output data of the Gaussian program? for example: Excited State 17: Singlet-A 5.1359 eV 241.41 nm...
28 July 2024 9,165 2 View
Please, what is the memory consumption of the Matlab function quad tree decomposition procedure [S = qtdecomp(I)] with respect to the input set I?
27 July 2024 5,455 2 View
Hi everyone, I'm working on calculating the activation energies for some redox reactions using Gaussian, Here are the reactions I'm interesting: Py•−+ 3O2 → Py + 3O2•− Py•− + 1O2 → Py + 1O2•− Is...
18 July 2024 4,418 3 View
Using DFT/B3LYP/6-311++G
17 July 2024 7,720 1 View
im studing gaussian 16 with reading paper about I-131 Metaiodobenzylguanidine in the paper "In a similar vein, nuclear magnetic resonance shielding values were investigated using the widely...
16 July 2024 6,040 4 View
I have ftir from gaussian output file.where ir aand raman are given. However in many research articles value of ir and raman are classified into two portion. Please anyone knows suggest me to how...
11 July 2024 2,498 1 View
I am attempting to culture tissue resident T cells (TRM) derived from fresh intestinal tissue for up to six days. I am finding that the viability of the T cells is low at D0, and a very small...
08 July 2024 4,887 2 View
I am new to gaussian 16 software and while doing non linear optical properties calculation hyperpolarizabiltiy polarizability dipole moment calculation I found different gaussian input keywords...
08 July 2024 7,551 1 View
What do you know about color memory? There is no red color in this image.. Your brain fills in the red color. The image is made entirely of light blue, black, and white. Zoom in on the image and...
04 July 2024 756 1 View