Dear Amber Fans
I have already installed amber24 on ubuntu 24.04. When run make test
serial, I had no problems and summary of tests is
1955 file comparisons passed
13 file comparisons failed (3 of which can be ignored)
6 tests experienced errors
Then, I went to make test.parallel at first with 2 processors and summary
is
774 file comparisons passed
17 file comparisons failed (1 of which can be ignored)
4 tests experienced errors
But when I ran make test.paralle for 4 processors, the program stuck and
the computer restart. I don't know, what is the problem?.
The program stuck at this step:
export TESTsander=/home/ibrahim/amber24///bin/sander.MPI; cd multid_remd &&
./Run.multirem
Running multisander version of sander Amber24
Total processors = 4
Number of groups = 4
This is the same step with 2 processors
export TESTsander=/home/ibrahim/amber24///bin/sander.MPI; cd h_rem &&
./Run.rem
This test case requires a multiple of 4 MPI threads!
Only using 2
export TESTsander=/home/ibrahim/amber24///bin/sander.MPI; cd multid_remd &&
./Run.multirem
This test case requires a multiple of 4 MPI threads!
Only using 2
export TESTsander=/home/ibrahim/amber24///bin/sander.MPI; cd
cnstph_remd/TempRem && ./Run.cnstph_remd
Running multisander version of sander Amber24
Total processors = 2
Number of groups = 2
diffing ph4.cpout.000.save with ph4.cpout.000
PASSED
Any explanation will be appreciated.
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Apr 01 2025 - 02:30:02 PDT
