qmckl/TODO.org

• Set up CI on Travis
• Write tests
• malloc/free : Parameters for accelerators?
• TRANSA, TRANSB
• Performance info
• Benchmark interpolation of basis functions
• Complex numbers
• Adjustable number for derivatives (1,2,3)
• Put pictures
• Make the Makefile part of the documented code ?
• Put the data-flow graph in the code.
• Verificarlo TODO
  • Compilation and Testing

Set up CI on Travis

Write tests

malloc/free : Parameters for accelerators?

We should define qmckl_malloc and qmckl_free just to give the possibility of the HPC implementations to define how they allocate the memory (on CPU or GPU, using alternatives to malloc/free, etc). A possibility could be to pass the id of a NUMA domain as a parameter of qmckl_malloc, where the domain id is something obtained from the context.

TRANSA, TRANSB

Performance info

Benchmark interpolation of basis functions

Complex numbers

Adjustable number for derivatives (1,2,3)

Put pictures

Make the Makefile part of the documented code ?

Put the data-flow graph in the code.

Verificarlo TODO

These are installation instructions for verificarlo which needs to be moved to an appropriate place at some point.

Compilation and Testing

The following steps were required to get the verificarlo version up and running on an Ubuntu 20.04 laptop.

1. Compilers

   1. clang - For e.g. clang-7
   2. flang - For e.g. flang-7 : Care needs to be taken that the flang version is compatible with the clang version used. There are known issues with using oneAPI due to flang being incompatible with oneAPI supplied clang.
   3. gcc - For e.g. gcc-7

2. Environment varibales

   1. VFC_BACKENDS - For e.g. `VFC_BACKENDS="libinterflop_ieee.so"`