[Pw_forum] segmentation fault -stack -gfortran

[ambavale sagar]

hi all,
I am running conduction calculations of linear chain comprising of '3 carbons and 2 silicons placed alternate' using pwcond.x of espresso-4.0 compiled with LAM-MPI, ifort10.1 on double cpu Quad-core xeon machine which gives me "forrtl: severe (174): SIGSEGV, segmentation fault occurred". {For chain of 3 Carbons and 1 Si it didn't gave error. } Manual of ifort says "This message indicates that the program attempted an invalid memory reference. Check the program for possible errors." Is this related to stack limit? But for that ifort should write error message like:" severe (174): SIGSEGV, possible program stack overflow occurred"
 
Moreover i read in ../Doc/changelog-4.0 that C subroutine named 'stack.c' is called in the starting of program to remove(?) the stack limit imposed by ifort. Where should i make change to increase the stack limit to 4gb? Moreover, i think there is one '}' is missing... if i uncomment the portion that defines Axel's version (1 gb).
 
 P.S.: In ifort manual i found one variable called "KMP_STACKSIZE".{Sets the number of bytes to allocate for each OpenMP* thread to use as the private stack for the thread.
Recommended size is 16m.    Use the optional suffixes: b (bytes), k (kilobytes), m (megabytes), g (gigabytes), or t (terabytes) to specify the units.   This variable does not affect the native operating system threads created by the user program nor the thread executing the sequential part of an OpenMP* program or parallel programs created using -parallel (Linux and Mac OS X) or /Qparallel (Windows).}
 How to set this variable?
One more question: 
 
When i configured espresso with gfortran (version 4.1)giving:
../configure --disable-parallel F90=gfortran CC=gcc LAPACK_LIBS="~/espresso-4.0/flib/lapack.a" BLAS_LIBS=" ~/espresso-4.0/flib/blas.a" DFLAGS=-D__USE_INTERNAL_FFTW 
It gave the error at the time of compilation :
 REAL(DP),   allocatable :: of_r(:,:)  ! the charge density in R-space
                           1
Error: Attribute at (1) is not allowed in a TYPE definition
 In file scf_mod.f90:49
 
     COMPLEX(DP),allocatable :: of_g(:,:)  ! the charge density in G-space
                           1
Error: Attribute at (1) is not allowed in a TYPE definition
 In file scf_mod.f90:50
............
..........
........
make[1]: *** [scf_mod.o] Error 1
make[1]: Leaving directory `/home/sagar/espresso-4.0/PW'
make: *** [pw] Error 2
[sagar at localhost espresso-4.0]$ 
 
 
Sagar Ambavale
Phd student
The M.S. University of Baroda
India


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