<table cellspacing='0' cellpadding='0' border='0' ><tr><td valign='top' style='font: inherit;'><P class=MsoNormal style="MARGIN: 0in 0in 0pt"><FONT face="Times New Roman" size=3>hi all,</FONT></P>
<P class=MsoNormal style="MARGIN: 0in 0in 0pt"><FONT face="Times New Roman" size=3>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"</FONT></P>
<P class=MsoNormal style="MARGIN: 0in 0in 0pt"><?xml:namespace prefix = o ns = "urn:schemas-microsoft-com:office:office" /><o:p><FONT face="Times New Roman" size=3> </FONT></o:p></P>
<P class=MsoNormal style="MARGIN: 0in 0in 0pt"><FONT face="Times New Roman" size=3>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).</FONT></P>
<P class=MsoNormal style="MARGIN: 0in 0in 0pt"><SPAN style="mso-spacerun: yes"><FONT face="Times New Roman" size=3> </FONT></SPAN></P>
<P class=MsoNormal style="MARGIN: 0in 0in 0pt"><FONT size=3><FONT face="Times New Roman"><SPAN style="mso-spacerun: yes"> </SPAN>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.</FONT></FONT></P>
<P class=MsoNormal style="MARGIN: 0in 0in 0pt"><FONT face="Times New Roman" size=3>Recommended size is 16m.<SPAN style="mso-spacerun: yes"> </SPAN>Use the optional suffixes: b (bytes), k (kilobytes), m (megabytes), g (gigabytes), or t (terabytes) to specify the units.<SPAN style="mso-spacerun: yes"> </SPAN>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)..}</FONT></P>
<P class=MsoNormal style="MARGIN: 0in 0in 0pt"><FONT size=3><FONT face="Times New Roman"><SPAN style="mso-spacerun: yes"> </SPAN>How to set this variable?</FONT></FONT></P>
<P class=MsoNormal style="MARGIN: 0in 0in 0pt"><FONT face="Times New Roman" size=3>One more question: </FONT></P>
<P class=MsoNormal style="MARGIN: 0in 0in 0pt"><o:p><FONT face="Times New Roman" size=3> </FONT></o:p></P>
<P class=MsoNormal style="MARGIN: 0in 0in 0pt"><FONT face="Times New Roman" size=3>When i configured espresso with gfortran (version 4.1)giving:</FONT></P>
<P class=MsoNormal style="MARGIN: 0in 0in 0pt"><FONT face="Times New Roman" size=3>./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 </FONT></P>
<P class=MsoNormal style="MARGIN: 0in 0in 0pt"><FONT face="Times New Roman" size=3>It gave the error at the time of compilation :</FONT></P>
<P class=MsoNormal style="MARGIN: 0in 0in 0pt"><FONT size=3><FONT face="Times New Roman"><SPAN style="mso-spacerun: yes"> </SPAN>REAL(DP),<SPAN style="mso-spacerun: yes"> </SPAN>allocatable :: of_r(:,:)<SPAN style="mso-spacerun: yes"> </SPAN>! the charge density in R-space</FONT></FONT></P>
<P class=MsoNormal style="MARGIN: 0in 0in 0pt"><FONT size=3><FONT face="Times New Roman"><SPAN style="mso-spacerun: yes"> </SPAN>1</FONT></FONT></P>
<P class=MsoNormal style="MARGIN: 0in 0in 0pt"><FONT face="Times New Roman" size=3>Error: Attribute at (1) is not allowed in a TYPE definition</FONT></P>
<P class=MsoNormal style="MARGIN: 0in 0in 0pt"><FONT size=3><FONT face="Times New Roman"><SPAN style="mso-spacerun: yes"> </SPAN>In file scf_mod.f90:49</FONT></FONT></P>
<P class=MsoNormal style="MARGIN: 0in 0in 0pt"><o:p><FONT face="Times New Roman" size=3> </FONT></o:p></P>
<P class=MsoNormal style="MARGIN: 0in 0in 0pt"><FONT size=3><FONT face="Times New Roman"><SPAN style="mso-spacerun: yes"> </SPAN>COMPLEX(DP),allocatable :: of_g(:,:)<SPAN style="mso-spacerun: yes"> </SPAN>! the charge density in G-space</FONT></FONT></P>
<P class=MsoNormal style="MARGIN: 0in 0in 0pt"><FONT size=3><FONT face="Times New Roman"><SPAN style="mso-spacerun: yes"> </SPAN>1</FONT></FONT></P>
<P class=MsoNormal style="MARGIN: 0in 0in 0pt"><FONT face="Times New Roman" size=3>Error: Attribute at (1) is not allowed in a TYPE definition</FONT></P>
<P class=MsoNormal style="MARGIN: 0in 0in 0pt"><FONT size=3><FONT face="Times New Roman"><SPAN style="mso-spacerun: yes"> </SPAN>In file scf_mod.f90:50</FONT></FONT></P>
<P class=MsoNormal style="MARGIN: 0in 0in 0pt"><FONT face="Times New Roman" size=3>...........</FONT></P>
<P class=MsoNormal style="MARGIN: 0in 0in 0pt"><FONT face="Times New Roman" size=3>.........</FONT></P>
<P class=MsoNormal style="MARGIN: 0in 0in 0pt"><FONT face="Times New Roman" size=3>.......</FONT></P>
<P class=MsoNormal style="MARGIN: 0in 0in 0pt"><FONT face="Times New Roman" size=3>make[1]: *** [scf_mod.o] Error 1</FONT></P>
<P class=MsoNormal style="MARGIN: 0in 0in 0pt"><FONT face="Times New Roman" size=3>make[1]: Leaving directory `/home/sagar/espresso-4.0/PW'</FONT></P>
<P class=MsoNormal style="MARGIN: 0in 0in 0pt"><FONT face="Times New Roman" size=3>make: *** [pw] Error 2</FONT></P>
<P class=MsoNormal style="MARGIN: 0in 0in 0pt"><FONT face="Times New Roman" size=3>[sagar@localhost espresso-4.0]$ </FONT></P>
<P class=MsoNormal style="MARGIN: 0in 0in 0pt"><FONT face="Times New Roman" size=3></FONT> </P>
<P class=MsoNormal style="MARGIN: 0in 0in 0pt"><FONT face="Times New Roman" size=3></FONT> </P>
<P class=MsoNormal style="MARGIN: 0in 0in 0pt"><FONT face="Times New Roman" size=3>Sagar Ambavale</FONT></P>
<P class=MsoNormal style="MARGIN: 0in 0in 0pt"><FONT face="Times New Roman" size=3>Phd student</FONT></P>
<P class=MsoNormal style="MARGIN: 0in 0in 0pt"><FONT face="Times New Roman" size=3>The M.S. University of Baroda</FONT></P>
<P class=MsoNormal style="MARGIN: 0in 0in 0pt"><FONT face="Times New Roman" size=3>India</FONT></P></td></tr></table><br>
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