ABINIT Discussion Forums

Posted: **Wed Oct 30, 2013 11:24 am**

Hello!

I'm experiencing reproducible SEGFAULTS when using Abinit 7.4.3 compiled with ifort 14.0.0 to calculate the bandstructure and wavefunction of SnTe.

I did some tests, to check, where the error comes from:

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gfortran 4.8.2   + openmpi 1.6.5 : works perfectly
ifort 14.0.0.080 + openmpi 1.6.5 : SEGFAULT
ifort 13.0.0.079 + openmpi 1.6.2 : works perfectly

compiled with ifort 13.0.0.079 + openmpi 1.6.2 but
running with  ifort 14.0.0.080 + openmpi 1.6.5 : works perfectly

What should I do now?

Best regards,
Sunny

EDIT: I tried to triangulate the problem and noticed, that I can successfully calculate the bandstructure compiling with optimization level 1.

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./configure FC=mpif90 F77=mpif77 CC=mpicc CXX=mpicxx --enable-mpi --enable-mpi-io --with-linalg-flavor=mkl LIBS=-mkl prefix=$HOME --enable-optim CFLAGS_OPTIM="-O1" CXXFLAGS_OPTIM="-O1" FCFLAGS_OPTIM="-O1"

Compiling with optimization level 2 (here with added traceback flag)

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./configure FC=mpif90 F77=mpif77 CC=mpicc CXX=mpicxx --enable-mpi --enable-mpi-io --with-linalg-flavor=mkl LIBS=-mkl prefix=$HOME --enable-optim CFLAGS_OPTIM="-O2" CXXFLAGS_OPTIM="-O2" FCFLAGS_OPTIM="-O2" --enable-debug CFLAGS_DEBUG="-g -traceback" CXXFLAGS_DEBUG="-g -traceback" FCFLAGS_DEBUG="-g -traceback"

results in SEGFAULTS with the following backtrace for every process:

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forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image              PC                Routine            Line        Source
libirc.so          00002B5D01B641F9  Unknown               Unknown  Unknown
libirc.so          00002B5D01B62B70  Unknown               Unknown  Unknown
libifcore.so.5     00002B5D00E8EDDF  Unknown               Unknown  Unknown
libifcore.so.5     00002B5D00DF64CF  Unknown               Unknown  Unknown
libifcore.so.5     00002B5D00E07BC3  Unknown               Unknown  Unknown
libpthread.so.0    00002B5D01DBE7C0  Unknown               Unknown  Unknown
abinit             00000000017C1901  xcpbe_                    537  xcpbe.F90
abinit             0000000001790CC5  drivexc_                  429  drivexc.F90
abinit             00000000017656B8  rhohxc_                   713  rhohxc.F90
abinit             0000000000F3CA7A  setvtr_                   446  setvtr.F90
abinit             00000000005BB4BE  scfcv_                   1043  scfcv.F90
abinit             0000000000590A88  scfcv_new_                187  scfcv_new.F90
abinit             00000000005923AC  scfcv_new2_               138  scfcv_new2.F90
abinit             000000000053056B  gstate_                  1183  gstate.F90
abinit             000000000045860A  gstateimg_                421  gstateimg.F90
abinit             0000000000446C68  driver_                   653  driver.F90
abinit             000000000043D253  MAIN__                    440  abinit.F90
abinit             000000000043B486  Unknown               Unknown  Unknown
libc.so.6          00002B5D01FEAC36  Unknown               Unknown  Unknown
abinit             000000000043B379  Unknown               Unknown  Unknown

Posted: **Thu Oct 31, 2013 11:36 am**

Intel compilers with 0 as minor version number are usually bug nests and should only be used for experimentation with Abinit, since it triggers most of their bugs. To solve this problem, you may do one or more of the following:

rebuild Abinit with an older and bugfixed version of Intel compilers;
wait for Intel 14.1 compilers;
ask Intel to include the build of Abinit in the test suite of their compilers;
switch to a more stable compiler, e.g. GCC 4.7 (or GCC 4.8 beginning next year).

Posted: **Mon Jan 20, 2014 11:01 am**

Hi,

some infos on the post : http://forum.abinit.org/viewtopic.php?f=2&t=2389#p7569

I hope it can help you

jmb

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