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If you have problems during the execution of MRCC, please attach the output with an adequate description of your case as well as the followings:
This information really helps us during troubleshooting
- the way mrcc was invoked
- the way build.mrcc was invoked
- the output of build.mrcc
- compiler version (for example: ifort -V, gfortran -v)
- blas/lapack versions
- as well as gcc and glibc versions
This information really helps us during troubleshooting
Backspace error in the testing suite jobs
- dolgonos
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8 years 5 months ago - 8 years 5 months ago #270
by dolgonos
Backspace error in the testing suite jobs was created by dolgonos
Hi all!
I've just compiled mrcc via
build.mrcc Intel -i64 -pMPI
While running the test suite MTEST I've noticed that some of the tests fail with the error message:
forrtl:severe(23): BACKSPACE error, unit 66, file .{path_to_mrcc}/MTEST/junk/iface
- not only those which require small memory (MINP *smallmem) and should fail according to the manual (I am using several cores on the node), but also other jobs like:
Ethylene+_STO_3G_CCSDT(Q)_L
Ethylene_STO_3G_CCSDTQ(P)
etc. (and do not have any "smallmem" indication)
Is this a clear sign that I have complied the code improperly or it's just a manifestation that I simply ran out of resources? Do I need to recompile the code?
Other test jobs seem fine to run.
Thank you in advance for the answer,
Best,
Greg
I've just compiled mrcc via
build.mrcc Intel -i64 -pMPI
While running the test suite MTEST I've noticed that some of the tests fail with the error message:
forrtl:severe(23): BACKSPACE error, unit 66, file .{path_to_mrcc}/MTEST/junk/iface
- not only those which require small memory (MINP *smallmem) and should fail according to the manual (I am using several cores on the node), but also other jobs like:
Ethylene+_STO_3G_CCSDT(Q)_L
Ethylene_STO_3G_CCSDTQ(P)
etc. (and do not have any "smallmem" indication)
Is this a clear sign that I have complied the code improperly or it's just a manifestation that I simply ran out of resources? Do I need to recompile the code?
Other test jobs seem fine to run.
Thank you in advance for the answer,
Best,
Greg
Last edit: 8 years 5 months ago by dolgonos.
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- kallay
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- Mihaly Kallay
8 years 5 months ago - 8 years 5 months ago #271
by kallay
Best regards,
Mihaly Kallay
Replied by kallay on topic Backspace error in the testing suite jobs
Dear Greg,
Unfortunately, the mtest script does not work with MPI (I am going to clarify this in the manual.). The MPI jobs stop at some point and require the manual execution of mrcc with mpirun (see Sect. 9.3 in the manual). The mtest script is not prepared for such jobs and will return with an error message. To test your installation you should collect a couple of such jobs and run them manually.
Unfortunately, the mtest script does not work with MPI (I am going to clarify this in the manual.). The MPI jobs stop at some point and require the manual execution of mrcc with mpirun (see Sect. 9.3 in the manual). The mtest script is not prepared for such jobs and will return with an error message. To test your installation you should collect a couple of such jobs and run them manually.
Best regards,
Mihaly Kallay
Last edit: 8 years 5 months ago by kallay.
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- dolgonos
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8 years 5 months ago #272
by dolgonos
Replied by dolgonos on topic Backspace error in the testing suite jobs
Dear Mihaly!
Thanks for your prompt answer. Indeed, most of the failed jobs had an error message:
Now launch mrcc in parallel mode!
Out of curiosity, I ran manually one of the seemingly failed jobs - and it ran perfectly.
At least, I am sure now that I do not need to recompile the code with other parameters.
Thanks again!
Best,
Greg
Thanks for your prompt answer. Indeed, most of the failed jobs had an error message:
Now launch mrcc in parallel mode!
Out of curiosity, I ran manually one of the seemingly failed jobs - and it ran perfectly.
At least, I am sure now that I do not need to recompile the code with other parameters.
Thanks again!
Best,
Greg
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