All of the tests of ABINIT 8.8.2 have passed,
but the tests of ABINIT with CUDA almost fails.
The following shows how to build and test execute.
# cat build.ac
# ./configure --with-config-file="./build.ac"
Information on my GPU card and compiler is as follows.
Device 0: "Tesla V100-PCIE-16GB"
CUDA Driver Version / Runtime Version 9.0 / 9.0
CUDA Capability Major/Minor version number: 7.0
# mpiifort --version
ifort (IFORT) 17.0.4 20170411
# mpiicc --version
icc (ICC) 17.0.4 20170411
# mpiicpc --version
icpc (ICC) 17.0.4 20170411
# make test_fast
==> The run finished cleanly.
Moreover, comparison of the total energy, and other (few) relevant quantities with reference values has been successful.
This does not mean that no problem is present, however.
Please run the complete set of ABINIT tests to gain a better confidence in your installation.
# python runtests.py
[fast][t00][np=1]: succeeded [file=t00.out]
[fast][t01][np=1]: succeeded [file=t01.out]
[fast][t02][np=1]: succeeded [file=t02.out]
[fast][t04][np=1]: failed: erroneous lines 8 > 0 [file=t04.out]
No YAML Error found in [fast][t04][np=1]
[fast][t03][np=1]: failed: erroneous lines 8 > 0 [file=t03.out]
No YAML Error found in [fast][t03][np=1]
[fast][t17][np=1]: failed: erroneous lines 40 > 0 [file=t17.out]
No YAML Error found in [fast][t17][np=1]
(4) tests gpu
# python runtests.py gpu -j4
Summary: failed=5, succeeded=0, passed=0, skipped=2, disabled=0
I get lots of tests failures.
Especially the fatal thing is that all gpu tests have failed and none of the successful gpu tests succeeded.
If there are any other particular points, please point them out.