G16NBO is currently configured with only 100000000 words Errors

If you encounter errors when you use NBO7 with Gaussian G16a

This calculation is attempting to allocate 299857248 words of scratch memory,
but G16NBO is currently configured with only 100000000 words. If you have the
NBO6 source distribution, you can reconfigure G16NBO by editing maxmem.fh in
nbo6/src/g16nbo/include and rebuilding the executables.

Dynamic memory allocation in the GenNBO, G09NBO, and G16NBO interfaces to NBO7 has been implemented. The issue has been fixed with the latest download from NBO7 site.

Remember to update  gennbo.sh at your NBO directory

# Examples:

# setenv NBOMEM 50mw
# setenv NBOMEM 512mb
# setenv NBOMEM 1gb

setenv NBOMEM 1gb


Webinar – The promises of the One Health concept in the age of anthropocene


TITLE: The promises of the One Health concept in the age of anthropocene


SPEAKER: dr Aneta Afelt, Interdisciplinary Centre for Mathematical and Computational Modelling, University of Warsaw | Espace-DEV, IRD – Institut de Recherche pour le Développement, Montpellier, France


DATE&TIME: Thursday, May 28, 2020 at 4:00 PM (CEST)



In May 2019 an article was published: Anthropocene now: influential panel votes to recognise Earth’s new epoch situating at the stratigraphy of Earth’s history a new geological epoch – the domination of human influence on shaping the Earth’s environment. When humans are a central figure in an ecological niche it results in massive subordination and transformation of the environment for their needs. Unfortunately, the outcome of such actions is a robbery of natural resources. The consequences are socially unexpected – a global epidemiological crisis. The current COVID-19 pandemic is an excellent example. It seems that one of the most important questions of the anthropocene era is how to maintain stable epidemiological conditions for now and in the future. The One Health concept proposes a new paradigm – a deep look at the sources of our well-being: our relationship with the environment. Our health status is interdependent with the well-being of the environment. It is clear that the socio-ecological niche disturbance results in the spread of pathogens. Can sustainable development of socio-ecological niches help us?

Let’s take a look at the results!



ANETA AFELT: Aneta Afelt, PhD, is a geographer working in the area of health geography. Her interest in research is the One Health concept, where environment, epidemiology and epizootiology are considered as interconnected processes located in social-ecological niches. She shows in the research results that the destruction of ecosystems results inepidemiological consequences. She works at the Interdisciplinary Center for Mathematical and Computational Modeling of the University of Warsaw, Poland, and is currently a Guest Researcher at Espace-DEV, IRD – Institut de Recherche pour le Développement, Montpellier, France. She is also a member of the scientific committee for Covid-19 of the Ministry of Science in Poland and a scientific consultant of the European Research Agency for actions dedicated to Covid-19.




Checking Disk Usage within the subfolders

I like this command which I often use to look into the dish usages at the sub folder level to check for large usages

du -h -d 1
1.3M    ./Espresso-BEEF
65M     ./MATLAB
478M    ./Abaqus
10G     ./COMSOL
8.3M    ./Gaussian2
316K    ./scripts
4.9M    ./NB07
647M    ./pytorch-GAN
31M     ./Gaussian
12G     .


  • -h refers to human-readable
  • -d refers to depth level. By default, it is 0 which is the same as summarize

Webinar – Best of Healthcare with ANSYS

Introduction to Healthcare Series

26 May 2011:00 – 11:30 am (SGT)

Register >>


Bridging the Gap between Engineering and Healthcare

26 May 2002:00 – 02:30 pm (SGT)

Register >>


Bridging the Gap: How to Translate the Reality into The Computer Language

27 May 2011:00 – 11:30 am (SGT)

Register >>


Computational Modeling of Thoracic Aortic Aneurysm and Its Treatment

27 May 2002:00 – 02:30 pm (SGT)

Register >>


Biomaterials Selection for Biomedical Applications

27 May 2004:00 – 05:00 pm (SGT)

Register >>

Fabric Debug Initiation using ibdiagnet (Part 1)

Learn some of these steps from Mellanox Academy Online Training

Step 1: Clear all counters and begin the test execution

ibdiagnet -pc

Wait for a while. Usually, it may take 30 to 60 mins

Check for errors that exceed the allowed threshold

ibdiagnet -ls 25 -lw 4x -P all=1 --pm_pause_time 30
  • Specify the link speed
    -ls <2.5|5|10|14|25|50> 
  • Specify the Link width
    -lw <1x|4x|8x|12x>
  • Check Information provide from all counters and display each one of them crossing threshold of 1
    -P all=1
  • The time between the two samples is set by the –pm_pause_time option