Error in compilation

[ldx03]

Dear all,

I am trying to compile Yambo 3.4.1-rev61 on Magerit (CeSViMa's supercomputer) but it fails. I use the following command to configure:

./configure FC=xlf90_r F77=xlf_r CC=xlc_r CPP="cpp -P" --with-blas=/gpfs/sw/ppc64/ib/openmpi/BLAS/lib/libblas.a --with-lapack=/gpfs/sw/ppc64/ib/openmpi/LAPACK/3.5.0/lib/liblapack.a --with-fftw=/gpfs/sw/ppc64/ib/openmpi/FFTW/3.3.4/lib PFC=mpixlf90 MPICC=mpixlc

After configuration, it looks ok with the following massage:

#
# [VER] 3.4.1 r.3187
#
# [SYS] linux@powerpc64
# [SRC] /home/upv87/upv87710/code/yambo-3.4.1-rev61
# [BIN] /home/upv87/upv87710/code/yambo-3.4.1-rev61/bin
# [FFT] Goedecker Fast Fourier transform with 0 cache
#
# [ ] Double precision
# [X] Redundant compilation
# [X] MPI
# [ ] OpenMP
# [ ] PW (5.0) support
# [ ] ETSF I/O support
# [ ] SCALAPACK
# [ ] NETCDF/HDF5/Large Files
# [XX ] Built-in BLAS/LAPACK/LOCAL
#
# [ CPP ] cpp -P -E -traditional
# [ C ] xlc_r -q64 -O2
# [MPICC] mpixlc -q64 -O2
# [ F90 ] xlf90_r -q64 -O2 -qnoescape -qnostrict -qarch=ppc970 -qtune=ppc970
# [MPIF ] mpixlf90 -q64 -O2 -qnoescape -qnostrict -qarch=ppc970 -qtune=ppc970
# [ F77 ] xlf_r -q64 -O2 -qnoescape -qnostrict -qarch=ppc970 -qtune=ppc970
# [Cmain]
# [NoOpt] -q64 -O0
#
# [ MAKE ] make
# [EDITOR] vim

But when I compile it using: make yambo interfaces, it gives some errors at the end:

mod_timing.F "mod_logo.f", line 255.0: 1515-010 (S) String is missing a closing delimiter. Closing delimiter assumed at end of line.
** logo === End of Compilation 1 ===
1501-511 Compilation failed for file mod_logo.f.
make[1]: *** [mod_logo.o] Error 1
make[1]: Leaving directory `/.statelite/tmpfs/gpfs/project/upvxx/upvxxxx/code/yambo-3.4.1-rev61/src/modules'
make: *** [yambo] Error 2

The config.log file is attached. Could someone help to solve this problem? Thanks in advance!

Regards,

Lede Xian
NanoBio Spectroscopy Group and ETSF
Universidad del País Vasco UPV/EHU, Donostia, Spain

[Daniele Varsano]

Dear Lede,

hopefully you can solve the problem changing in
/src/modules/mod_logo.F
at line 253 "\" to "\\"

If it does not solve the problem, have a look to the forum as there are some posts on problems encountered with xlf by using the search botton, and of course do not hesitate do post here again any issues.

Please note that in your configure you do not have specified the link to the iotk library so only the interface with abinit will be compiled as the interface with quantum espresso needs iotk libraries.

Best,
Daniele

[ldx03]

Dear Daniele,

Thanks for your reply. However, it seems that changing the code in mod_logo.F is not solving the problems. Although after the change, mod_logo.F can be successfully compiled, another file is complaining again for Syntax error.

I couldn't be able to find a solution yet from the forum. In this post(viewtopic.php?f=1&t=416) , it did mention:

2nd problem: The xlf compilers also work in Linux. For example in yambo-3.2.5/src/modules/mod_logo.F one requires aix mentioned style otherwise xlf compilers fail with syntax error.

But I don't know how to set aix mentioned style during configuration or compiling. Do you have any idea, or other suggestions?

Thanks a lot!

Best,
Lede

[Daniele Varsano]

Dear Lede,
can you post the errors you are facing now?

Daniele

[ldx03]

Dear Daniele,

Here are the errors after I change mod_logo.F and compile the code with the same config before:

make[1]: Entering directory `/.statelite/tmpfs/gpfs/project/upv87/upv87710/code/yambo-3.4.1-rev61/src/modules'
"mod_xc_functionals.f", line 24.0: 1515-005 (S) Continuation line is not permitted at beginning of program or after INCLUDE, EJECT, @PROCESS statements or comment directive. Line is ignored.
"mod_xc_functionals.f", line 26.0: 1515-005 (S) Continuation line is not permitted at beginning of program or after INCLUDE, EJECT, @PROCESS statements or comment directive. Line is ignored.
"mod_xc_functionals.f", line 27.0: 1515-005 (S) Continuation line is not permitted at beginning of program or after INCLUDE, EJECT, @PROCESS statements or comment directive. Line is ignored.
"mod_xc_functionals.f", line 28.0: 1515-005 (S) Continuation line is not permitted at beginning of program or after INCLUDE, EJECT, @PROCESS statements or comment directive. Line is ignored.
"mod_xc_functionals.f", line 29.0: 1515-005 (S) Continuation line is not permitted at beginning of program or after INCLUDE, EJECT, @PROCESS statements or comment directive. Line is ignored.
"mod_xc_functionals.f", line 30.0: 1515-005 (S) Continuation line is not permitted at beginning of program or after INCLUDE, EJECT, @PROCESS statements or comment directive. Line is ignored.
"mod_xc_functionals.f", line 32.0: 1515-005 (S) Continuation line is not permitted at beginning of program or after INCLUDE, EJECT, @PROCESS statements or comment directive. Line is ignored.
"mod_xc_functionals.f", line 33.0: 1515-005 (S) Continuation line is not permitted at beginning of program or after INCLUDE, EJECT, @PROCESS statements or comment directive. Line is ignored.
"mod_xc_functionals.f", line 34.0: 1515-005 (S) Continuation line is not permitted at beginning of program or after INCLUDE, EJECT, @PROCESS statements or comment directive. Line is ignored.
"mod_xc_functionals.f", line 35.0: 1515-005 (S) Continuation line is not permitted at beginning of program or after INCLUDE, EJECT, @PROCESS statements or comment directive. Line is ignored.
"mod_xc_functionals.f", line 36.0: 1515-005 (S) Continuation line is not permitted at beginning of program or after INCLUDE, EJECT, @PROCESS statements or comment directive. Line is ignored.
"mod_xc_functionals.f", line 37.0: 1515-005 (S) Continuation line is not permitted at beginning of program or after INCLUDE, EJECT, @PROCESS statements or comment directive. Line is ignored.
"mod_xc_functionals.f", line 39.2: 1515-017 (S) Label contains characters that are not permitted. Label is ignored.
"mod_xc_functionals.f", line 40.20: 1515-019 (S) Syntax is incorrect.
"mod_xc_functionals.f", line 50.32: 1515-018 (S) Incorrect character found in source at line 50 in column 32. Hexadecimal value of character is 26.
"mod_xc_functionals.f", line 51.29: 1515-018 (S) Incorrect character found in source at line 51 in column 29. Hexadecimal value of character is 26.
"mod_xc_functionals.f", line 52.32: 1515-018 (S) Incorrect character found in source at line 52 in column 32. Hexadecimal value of character is 26.
"mod_xc_functionals.f", line 53.27: 1515-018 (S) Incorrect character found in source at line 53 in column 27. Hexadecimal value of character is 26.
"mod_xc_functionals.f", line 56.0: 1515-010 (S) String is missing a closing delimiter. Closing delimiter assumed at end of line.
"mod_xc_functionals.f", line 67.7: 1514-050 (S) Specification statement is out of order. Statement is ignored.
"mod_xc_functionals.f", line 71.36: 1515-019 (S) Syntax is incorrect.
"mod_xc_functionals.f", line 81.65: 1515-018 (S) Incorrect character found in source at line 81 in column 65. Hexadecimal value of character is 26.
"mod_xc_functionals.f", line 82.27: 1515-019 (S) Syntax is incorrect.
"mod_xc_functionals.f", line 90.8: 1516-026 (S) Non-arrays must not be subscripted.
"mod_xc_functionals.f", line 91.27: 1511-037 (S) CYCLE statement was not found within the range of a DO-loop.
"mod_xc_functionals.f", line 105.22: 1515-019 (S) Syntax is incorrect.
"mod_xc_functionals.f", line 116.27: 1511-037 (S) CYCLE statement was not found within the range of a DO-loop.
"mod_xc_functionals.f", line 117.36: 1513-041 (S) Arguments of the wrong type were specified for the INTRINSIC procedure "trim".
"mod_xc_functionals.f", line 119.24: 1513-041 (S) Arguments of the wrong type were specified for the INTRINSIC procedure "trim".
"mod_xc_functionals.f", line 119.60: 1513-041 (S) Arguments of the wrong type were specified for the INTRINSIC procedure "trim".
"mod_xc_functionals.f", line 120.7: 1515-022 (S) Syntax Error: Extra token " nddofunctionxc_stringodulexc_functionals " was found. The token is ignored.
"mod_xc_functionals.f", 1515-002 (S) END card is missing. One is assumed.
** _main === End of Compilation 1 ===
1501-511 Compilation failed for file mod_xc_functionals.f.

Thanks for the help!

Bests,
Lede

[Daniele Varsano]

Dear Lede,
it looks that xlf_r is not accepting the free format.
You can try to set the FCFLAGS before running the configure:

export FCFLAGS='-O2 -q64 -qstrict -qmaxmem=-1 -qsuffix=f=f -qfree=f90' ,
or -qfree=f ..not sure

but I'm not sure it will works. You can have a try, anyway it looks me that many issue can arise and it is quite complicate to solve without having an access to this kind of machine.
By the way, it could may be easier to solve the problem if you could switch to the 4.0 new release.
May be some other people more expert on this machine can give more suggestion.

Daniele

PS: You can edit your signature in your user profile once for all, so avoiding to write it at each post