Validate the vasp compilation as much as possible without running all tests in testsuite.
Posted: Sat Feb 19, 2022 9:11 am
For vasp.6.3.0, I noticed that there is a huge difference in the number of test examples included in test and test_all, as follows:
Considering that running all these tests is time-consuming, I want to know whether there are some methods/tips to validate the vasp compilation as much as possible without running all tests in testsuite.
OTOH, I also noticed that there are so many predefined catetories as shown below:
So, when I run the cpu-based VASP version, how does the make test/test_all command identify gpu-based tests and automatically skip them?
Regards,
HZ
Code: Select all
werner@X10DAi-00:~/Public/hpc/vasp/vasp.6.3.0/testsuite/tests$ cd "/home/werner/Public/hpc/vasp/vasp.6.3.0/testsuite/tests"; rg -l 'CATEGORY=.*FAST' |wc -l
77
werner@X10DAi-00:~/Public/hpc/vasp/vasp.6.3.0/testsuite/tests$ ls |wc -l
385OTOH, I also noticed that there are so many predefined catetories as shown below:
Code: Select all
werner@X10DAi-00:~/Public/hpc/vasp/vasp.6.3.0/testsuite/tests$ rg -I 'CATEGORY=' | awk -F'"' '{print $2}' | tr ' ' '\n' | awk 'NF'| sort -u
ACFDT
BSE
CRPA
DIEL
FAST
GAMMA
GW
HYB
IVDW
KOPT
LREAL
LRESP
LTMP2
MD
ML
NCL
NCORE1
NOCUDA
NOSYM
OPTIC
PEAD
RPA
SOC
TBMD
VASP46
VASP6
WAN90
Regards,
HZ