Testing via WSL2 (windows 11) ubuntu 20.
1) The default compiler on ubuntu 20 (gcc 9) has a bug that causes
compilation with -mtune=native to fail for later-gen processors:
```
$ g++ -mtune=native Sizes.cpp
cc1plus: error: bad value (‘tigerlake’) for ‘-mtune=’ switch
```
I'm not sure if this affects other versions. Minor googling seems to
indicate it goes away with gcc 10, and gcc 7.5 doesn't appear to have this
problem. Running cmake with -DSSE=FALSE is the workaround. Not sure if
cmake should do the detecting here (i.e. if running gcc 9, force SSE=FALSE)
or if we just document it.
2) The C-shell is still required for many tests, but there is currently no
check that C-shell is present either during install or when running tests.
It's not obvious either, and manifests as a bunch of ignored failures:
```
$ ./test_amber_cuda_serial.sh
Using default PREC_MODEL = DPFP
cd cuda && make -k test.pmemd.cuda PREC_MODEL=DPFP
make[1]: Entering directory '/home/droe/Programs/amber/git/test/cuda'
------------------------------------
Running CUDA Implicit solvent tests.
Precision Model = DPFP
------------------------------------
cd gb_ala3/ && ./Run.igb1_ntc1_min DPFP yes
/bin/sh: 1: ./Run.igb1_ntc1_min: not found
make[1]: [Makefile:39: test.pmemd.cuda.gb.serial] Error 127 (ignored)
```
Only when you run the test directly do you get a helpful message:
```
$ cd gb_ala3/ && ./Run.igb1_ntc1_min DPFP yes
-bash: ./Run.igb1_ntc1_min: /bin/csh: bad interpreter: No such file or
directory
```
I think there should be a check for this either during install or in the
test_amber*.sh scripts. Ideally in the long term my preference would be to
move away from C-shell entirely, but I think that could be a pretty heavy
lift (unless someone's got tons of free time).
Hope everyone is well.
-Dan
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Received on Sun Feb 20 2022 - 11:00:02 PST
