[Pw_forum] supercell calculations with matdyn

[merlin meheut]

Dear all,

I would like to use the supercell calculation with matdyn.x, however  
it does not seem to work.

My input is:
------------------------------------------------
&input
dos=.false.,
flfrc = 'matifc',
flvec='',
asr = 'no',
l1=2,
l2=1,
l3=1,
flfrq = 'frqbruc.pur',
fltau='pos'
/&end
1
0.333333  0.577350 -0.330831
-------------------------------------------------

When I put l1=1, this works perfectly fine, but with this input it  
gives me strange errors such as:

*** glibc detected ***  
/home/meheut/program_files/espresso-3.2.3/pwtools//matdyn.x: malloc():  
memory corruption: 0x0000000001c0f060 ***
======= Backtrace: =========
/lib/libc.so.6[0x7f7ec5b8ea14]
/lib/libc.so.6(__libc_malloc+0x90)[0x7f7ec5b90360]

etc....

It seems to me related to memory allocation, but I am not very good at  
compilation troubles so I do not know how to handle that.

I tried versions 4.0, 3.2.3 on my computer (gfortran compiler, intel  
dual core)
and version 3.0 on a rocks cluster. All show some trouble.

I used previously this option with success on an old version (1.3.0),  
that I could not compile on my new computer, and I recall having  
customized the Makefile with something like
LDFLAGS= (...) -bmaxdata:1024000

but I am not sure if it is related to this problem. However I tried  
something alike but this option was not recognized by gfortran (the  
compiler I used for the 1.3.0 was mpif77) .

Thank you in advance for any hints,

----Merlin


--
Merlin Méheut
professional adress:
595 Charles Young Drive East
3806 Geology Building
Los Angeles, California 90095-1597
United States of America
tel: 310 825 7934
cell phone: 310 893 4253

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