Hi, I met almost the same problem before, and I finally got the conclusion that the problem was caused by memory leak, since many compiler fail to compile a runnable siesta-trunk-301. However, I am not sure for it. if use g95 or some version of intel fortran, you will get a runnable siesta-trunk-301.
By the way, the same problem could occur in siesta-3.0-b when doing the test in Tests/ag. After you get a runnable siesta(both siesta-trunk-301 and siesta-3.0-b), all results of the tests in Tests directory are very similar to those given in Reference. Appendix: The "many" compiler I tried ( All compiler could compile the source, but not always get a runnable file. some will crash as you met. Both "-g" and "-g -O2" compile option had been tried ): ---------------------------------------------------------------------------------- Compiler Version get a runnable(for siesta-trunk-301 ar2_vdw and graphite_vdw_df)? g95 0.91, cygwin Yes intel fortran 10.1.018, x86_64 Yes gfortran 4.1.2, x86_64 No gfortran 4.3.2, cygwin No intel fortran 11.0.081, i386 No intel fortran 11.1.038, i386 No ---------------------------------------------------------------------------------- On Thu, Nov 19, 2009 at 5:01 AM, Magdalena Birowska <[email protected]> wrote: > Dear siesta users, > > I downloaded 'siesta-trunk-301" version and installed. > I tried several tests, most of them finished succesfully; apart from these > where > van der Waals was included (graphite_vdw_df, ar2_vdw). > I received an error: > >>>>> Running graphite_vdw_df test... > ==> Copying pseudopotential file for C.vdw... > ==> Running SIESTA as ../../../Obj/siesta > *** glibc detected *** ../../../Obj/siesta: free(): invalid next size > (fast): 0x0000000003b74d00 *** > ======= Backtrace: ========= > /lib/libc.so.6[0x2b6b5b1c1948] > /lib/libc.so.6(cfree+0x76)[0x2b6b5b1c3a56] > ../../../Obj/siesta[0x56f7a3] > ../../../Obj/siesta[0x41c595] > ../../../Obj/siesta[0x48ccac] > ../../../Obj/siesta[0x4a52a8] > ../../../Obj/siesta[0x4a5518] > ../../../Obj/siesta[0x6595fc] > /lib/libc.so.6(__libc_start_main+0xe6)[0x2b6b5b16c1a6] > ../../../Obj/siesta[0x402199] > ======= Memory map: ======== > 00400000-0068e000 r-xp 00000000 08:08 4302051 > /home/magda/Desktop/siesta-trunk-301/Obj/siesta > 0088d000-008a2000 rw-p 0028d000 08:08 4302051 > /home/magda/Desktop/siesta-trunk-301/Obj/siesta > 008a2000-028b6000 rw-p 00000000 00:00 0 > 03a4f000-03d54000 rw-p 00000000 00:00 0 > [heap] > 2b6b5a7bb000-2b6b5a7d7000 r-xp 00000000 08:05 811030 > /lib/ld-2.7.so > 2b6b5a7d7000-2b6b5a872000 rw-p 00000000 00:00 0 > 2b6b5a9d6000-2b6b5a9d8000 rw-p 0001b000 08:05 811030 > /lib/ld-2.7.so > 2b6b5a9d8000-2b6b5aab1000 r-xp 00000000 08:05 1507868 > /usr/lib/libgfortran.so.3.0.0 > 2b6b5aab1000-2b6b5acb1000 ---p 000d9000 08:05 1507868 > /usr/lib/libgfortran.so.3.0.0 > 2b6b5acb1000-2b6b5acb3000 rw-p 000d9000 08:05 1507868 > /usr/lib/libgfortran.so.3.0.0 > 2b6b5acb3000-2b6b5ad35000 r-xp 00000000 08:05 811026 > /lib/libm-2.7.so > 2b6b5ad35000-2b6b5af34000 ---p 00082000 08:05 811026 > /lib/libm-2.7.so > 2b6b5af34000-2b6b5af36000 rw-p 00081000 08:05 811026 > /lib/libm-2.7.so > 2b6b5af36000-2b6b5af4c000 r-xp 00000000 08:05 811011 > /lib/libgcc_s.so.1 > 2b6b5af4c000-2b6b5b14c000 ---p 00016000 08:05 811011 > /lib/libgcc_s.so.1 > 2b6b5b14c000-2b6b5b14d000 rw-p 00016000 08:05 811011 > /lib/libgcc_s.so.1 > 2b6b5b14d000-2b6b5b14e000 rw-p 00000000 00:00 0 > 2b6b5b14e000-2b6b5b298000 r-xp 00000000 08:05 811027 > /lib/libc-2.7.so > 2b6b5b298000-2b6b5b497000 ---p 0014a000 08:05 811027 > /lib/libc-2.7.so > 2b6b5b497000-2b6b5b49a000 r--p 00149000 08:05 811027 > /lib/libc-2.7.so > 2b6b5b49a000-2b6b5b49c000 rw-p 0014c000 08:05 811027 > /lib/libc-2.7.so > 2b6b5b49c000-2b6b5d06f000 rw-p 00000000 00:00 0 > 2b6b60000000-2b6b60021000 rw-p 00000000 00:00 0 > 2b6b60021000-2b6b64000000 ---p 00000000 00:00 0 > 7fff8ee2c000-7fff8ee47000 rw-p 00000000 00:00 0 > [stack] > 7fff8ef85000-7fff8ef86000 r-xp 00000000 00:00 0 > [vdso] > ffffffffff600000-ffffffffff601000 r-xp 00000000 00:00 0 > [vsyscall] > /bin/sh: line 1: 23739 Przerwane ../../../Obj/siesta 2>&1 > > graphite_vdw_df.out < ../graphite_vdw_df.fdf > make: *** [completed_work] error 134 > > It seems that only VDW-DF dosen't work properly. > I insatlled siesta code according insrtuctions giving in manual. > I did following: > Obj$ sh ../Src/obj_setup.sh > /Src/SiestaXC$ touch ../arch.make > /Src/SiestaXC$ make dist > Obj$ ../Src/configure > Obj: make > Obj/SiestaXC/$ cp Siestaxc.mod ../ > Obj/SiestaXC/$ cp libSiesta.a ../ > Obj/SiestaXC/$ cp *.mod ../ > Obj$ make > > Many thanks in advance for your help.
