Octave/ Matlab is fun – Enter the Matrix

f = rot90((diag((ones(5,1)))) + hankel(zeros(5,1),2*(ones(5,1))),1) warning: hankel: column wins anti-diagonal conflict f = 0 2 2 2 3 0 0 2 3 2 0 0 1 2 2 0 1 0 0 2 1 0 0 0 0 hess(diag((ones(4,1)))) ans = 1 0 0 0 0 1 0 0 0 0 1 0 0 0 [...]

My second g++/cpp program – Using a Makefile

I downloaded the example files from here: http://www.cs.bu.edu/teaching/cpp/separate-compilation/ This demonstration explains how to compile using the make file. In this example you split up the program into separate modules, and use a make file to compile. This has the advantage that after making a change, only that part of the program needs to be recompiled. [...]

My first g++/cpp program

test.cpp is a text file containing: #include using namespace std; int main() { cout<<"test test"<<endl; return 0; } This is compiled using the command: g++ -o test test.cpp

ftnchek

One tool I picked up from Clive Page’s Page on Fortran was ftnchek. This program is a static analyser. It enables checking or Fortran77 for semantic errors (rather than syntax errors), which usually aren’t reported by compilers. Once a Program compiles you can check for syntax errors by running ftnchek program.f I found most of [...]

Magellan launch

The EPSRC National Service for Computational Chemistry Software (NSCCS) is pleased to announce the launch of its new machine, Magellan. Magellan is a 224-core SGI Altix 4700, with 896GB of memory and 1TB of storage. You may not be aware that the service is also available for materials chemistry applications and supports the following codes; [...]