The ABINIT Users Mailing List ( CLOSED )

["Guillaume Dumont" <dumont.guillaume@gmail.com>]

Dear everyone,

I would like to get your advice on this problem I encountered using
the new FFT and band parallelization in abinit 5.2.3. I am running a
non-self-consistent calculation (iscf -2) to compute the Gamma band
gap of a GaAsN supercell. I was able to optimize the geometry, and
compute the density with 2x2x2 kpoint grid on the same system. But
when it comes to calculate the band gap I get the following error
message:

MPI: On host udem-sgi07, Program
/RQMNT/user2/dumontgu/Abinit/abinit-5.2.3/build_altix_special/src/main/abinip,
Rank 9, Process 13128 received signal SIGSEGV(11)


MPI: --------stack traceback-------
Internal Error: Can't read/write file "/dev/mmtimer", (errno = 22)
MPI: Intel(R) Debugger for Itanium(R) -based Applications, Version
9.1-21 , Build 20060323
MPI: Reading symbolic information from
/RQMNT/user2/dumontgu/Abinit/abinit-5.2.3/build_altix_special/src/main/abinip...done
MPI: Attached to process id 13128  ....
MPI: stopped at [0xa000000000010641]
MPI: >0  0xa000000000010641
MPI: #1  0x2000000004093a80 in __waitpid(...) in /lib/tls/libc.so.6.1
MPI: #2  0x20000000000f4170 in MPI_SGI_stacktraceback(...) in 
/usr/lib/libmpi.so
MPI: #3  0x20000000000f59a0 in slave_sig_handler(...) in /usr/lib/libmpi.so
MPI: #4  0xa0000000000107e0
MPI: #5  0x40000000018a7890 in fftstp_(...) in
/RQMNT/user2/dumontgu/Abinit/abinit-5.2.3/build_altix_special/src/main/abinip
MPI: #6  0x400000000189d9a0 in back_wf_(...) in
/RQMNT/user2/dumontgu/Abinit/abinit-5.2.3/build_altix_special/src/main/abinip
MPI: #7  0x4000000001683540 in sg_fourwf_(...) in
/RQMNT/user2/dumontgu/Abinit/abinit-5.2.3/build_altix_special/src/main/abinip
MPI: #8  0x40000000016417e0 in fourwf_(...) in
/RQMNT/user2/dumontgu/Abinit/abinit-5.2.3/build_altix_special/src/main/abinip
MPI: #9  0x400000000070be50 in prep_fourwf_(...) in
/RQMNT/user2/dumontgu/Abinit/abinit-5.2.3/build_altix_special/src/main/abinip
MPI: #10 0x400000000043cbc0 in vtowfk_(...) in
/RQMNT/user2/dumontgu/Abinit/abinit-5.2.3/build_altix_special/src/main/abinip
MPI: #11 0x400000000041e090 in vtorho_(...) in
/RQMNT/user2/dumontgu/Abinit/abinit-5.2.3/build_altix_special/src/main/abinip
MPI: #12 0x400000000015fd80 in scfcv_(...) in
/RQMNT/user2/dumontgu/Abinit/abinit-5.2.3/build_altix_special/src/main/abinip
MPI: #13 0x40000000000b0210 in gstate_(...) in
/RQMNT/user2/dumontgu/Abinit/abinit-5.2.3/build_altix_special/src/main/abinip
MPI: #14 0x4000000000040050 in driver_(...) in
/RQMNT/user2/dumontgu/Abinit/abinit-5.2.3/build_altix_special/src/main/abinip
MPI: #15 0x4000000000012220 in MAIN__(...) in
/RQMNT/user2/dumontgu/Abinit/abinit-5.2.3/build_altix_special/src/main/abinip
MPI: #16 0x4000000000007600 in main(...) in
/RQMNT/user2/dumontgu/Abinit/abinit-5.2.3/build_altix_special/src/main/abinip
MPI: #17 0x2000000003fb1c50 in __libc_start_main(...) in /lib/tls/libc.so.6.1
MPI: #18 0x4000000000007340 in _start(...) in
/RQMNT/user2/dumontgu/Abinit/abinit-5.2.3/build_altix_special/src/main/abinip

MPI: -----stack traceback ends-----
MPI: On host udem-sgi07, Program
/RQMNT/user2/dumontgu/Abinit/abinit-5.2.3/build_altix_special/src/main/abinip,
Rank 9, Process 13128: Dumping core on signal SIGSEGV(11) into
directory /RQMNT/exec1/gcote/dumontgu/GaAsN/108Ga106As2N/Gap/0.1.1/gap
MPI: MPI_COMM_WORLD rank 9 has terminated without calling MPI_Finalize()
MPI: aborting job
MPI: Received signal 11

Input files to generate the density, and to compute the gap are
attached as well as the pseudopotential files.

Thanks

--
Guillaume Dumont
=========================
guillaume.dumont.1@umontreal.ca
dumont.guillaume@gmail.com
(514) 341 5298
(514) 343 6111 ext. 13279

Attachment: gaasn.tar.gz
Description: GNU Zip compressed data