I can't do regression test (Win10 Gromacs2020.3)

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1

I dont know why this is happening in windows but I did simple Lysozyme in water and it runs simulations.(I had doubt about the results…)
So i did regression test before using gromacs but all regression test results failed…
How can i do regression tests in windows10?
Thanks in advance

GROMACS version: 2020.3
GROMACS modification: Yes (It says modified, I dont know why)
Compiler: Prepared with Cmake-GUI and compiled with VS2019.

PS D:\bugra\downloads\gmxgpu\bin> perl gmxtest.pl all

Testing acetonitrilRF . . . gmx grompp -f ./grompp.mdp -c ./conf -r ./conf -p ./topol -maxwarn 10 >grompp.out 2>grompp.err

Abnormal return value for ‘gmx grompp -f ./grompp.mdp -c ./conf -r ./conf -p ./topol -maxwarn 10 >grompp.out 2>grompp.err’ was 1
No topol.tpr file in acetonitrilRF. grompp failed
FAILED. Check grompp.err, grompp.out file(s) in acetonitrilRF for acetonitrilRF
Testing aminoacids . . . gmx grompp -f ./grompp.mdp -c ./conf -r ./conf -p ./topol -maxwarn 10 >grompp.out 2>grompp.err

Abnormal return value for ‘gmx grompp -f ./grompp.mdp -c ./conf -r ./conf -p ./topol -maxwarn 10 >grompp.out 2>grompp.err’ was 1
No topol.tpr file in aminoacids. grompp failed
FAILED. Check grompp.err, grompp.out file(s) in aminoacids for aminoacids
Testing argon . . . gmx grompp -f ./grompp.mdp -c ./conf -r ./conf -p ./topol -maxwarn 10 >grompp.out 2>grompp.err
.
.
All 0 extra tests PASSED
Testing linfix . . .
gmx grompp -maxwarn 1 >grompp.out 2>grompp.err

Abnormal return value for ‘gmx grompp -maxwarn 1 >grompp.out 2>grompp.err’ was 1
echo 0 | gmx make_edi -f eigenvec.trr -outfrq 1 -linfix 1 -linstep 0.0013 -o sam.edi 1>make_edi.out 2>make_edi.err

Abnormal return value for ‘echo 0 | gmx make_edi -f eigenvec.trr -outfrq 1 -linfix 1 -linstep 0.0013 -o sam.edi 1>make_edi.out 2>make_edi.err’ was 255
Use of uninitialized value in addition (+) at gmxtest.pl line 1890.
FAILED: Can not read sam.edi at gmxtest.pl line 1413.

2

Hi - can you paste the output of grompp.err? From your build directory (where you ran cmake from) it should be in tests/complex/acetonitrilRF/

3

Thank u for your help
grompp.err said “gmx Not Recognized As an Internal or External Command”
so
I realized, I forgot to add gmx to envorimental variables so this fail happened

I added gmx to my environmental variable
variable = gmx
value = D:\bugra\downloads\gmxgpu\bin\gmx.exe
also
variable = GMXRC
value =D:\bugra\downloads\gmxgpu\bin\GMXRC

and regression test worked and all passed thanks for ur guidance again :)

I hope this message will help to other new gromacs users too…