sorry for making repeated posts but on $./configure --enable-parallel --host=x86_64 configuration is successful for parallel version on $make all in the compilation report i get the following warnings related to libgfortran.so.3 and no other warnings
/usr/bin/ld: warning: libgfortran.so.1, needed by /opt/openmpi/lib/libmpi_f90.so, may conflict with libgfortran.so.3 ( 8 times) /usr/bin/ld: warning: libgfortran.so.1, needed by /usr/lib/gcc/x86_64-redhat-linux6E/4.3.2/../../../liblapack.a, may conflict with libgfortran.so.3 (many times) hope this information is useful for suggesting a solution to the problem sincerely, sreekar guddeti Dept.Physics IIT Bombay India On Mon, Sep 7, 2009 at 6:36 AM, <pw_forum-request at pwscf.org> wrote: > Send Pw_forum mailing list submissions to > pw_forum at pwscf.org > > To subscribe or unsubscribe via the World Wide Web, visit > http://www.democritos.it/mailman/listinfo/pw_forum > or, via email, send a message with subject or body 'help' to > pw_forum-request at pwscf.org > > You can reach the person managing the list at > pw_forum-owner at pwscf.org > > When replying, please edit your Subject line so it is more specific > than "Re: Contents of Pw_forum digest..." > > > Today's Topics: > > 1. Re: Pw_forum Digest, Vol 27, Issue 25 (sreekar guddeti) > > > ---------------------------------------------------------------------- > > Message: 1 > Date: Mon, 7 Sep 2009 06:36:10 +0530 > From: sreekar guddeti <colonel.sreekar at gmail.com> > Subject: Re: [Pw_forum] Pw_forum Digest, Vol 27, Issue 25 > To: pw_forum at pwscf.org > Message-ID: > <c864e4460909061806j5cde75efk76af1e8dba08d111 at mail.gmail.com> > Content-Type: text/plain; charset="iso-8859-1" > > > As an alternative, try static > > link (add -static to LDFLAGS in make.sys). > > The other thing that i tried was > $make clean > $./configure --enable-parallel --disable-shared --host=x86_64 > > output is > ___________________________________________ > configure: WARNING: If you wanted to set the --build type, don't use > --host. > If a cross compiler is detected then cross compile mode will be used. > checking build system type... x86_64-unknown-linux-gnu > configure: WARNING: incorrect host name ? > checking architecture... > configure: WARNING: unsupported architecture? > checking for x86_64-g95... no > checking for x86_64-gfortran... no > checking for x86_64-f90... no > checking for g95... no > checking for gfortran... gfortran > checking for Fortran 77 compiler default output file name... a.out > checking whether the Fortran 77 compiler works... yes > checking whether we are cross compiling... yes > checking for suffix of executables... > checking for suffix of object files... o > checking whether we are using the GNU Fortran 77 compiler... yes > checking whether gfortran accepts -g... yes > checking for x86_64-mpif90... no > checking for x86_64-gfortran... no > checking for mpif90... mpif90 > checking whether we are using the GNU Fortran 77 compiler... yes > checking whether mpif90 accepts -g... yes > setting F90... gfortran > setting MPIF90... mpif90 > checking for x86_64-cc... no > checking for x86_64-gcc... no > checking for cc... no > checking for gcc... gcc > checking whether we are using the GNU C compiler... yes > checking whether gcc accepts -g... yes > checking for gcc option to accept ANSI C... none needed > setting CC... gcc > checking how to run the C preprocessor... gcc -E > checking for egrep... grep -E > checking for ANSI C header files... yes > checking for sys/types.h... yes > checking for sys/stat.h... yes > checking for stdlib.h... yes > checking for string.h... yes > checking for memory.h... yes > checking for strings.h... yes > checking for inttypes.h... yes > checking for stdint.h... yes > checking for unistd.h... yes > checking for int *... yes > checking size of int *... 8 > checking malloc.h usability... yes > checking malloc.h presence... yes > checking for malloc.h... yes > checking for struct mallinfo.arena... yes > checking for x86_64-gfortran... no > checking for gfortran... gfortran > checking whether we are using the GNU Fortran 77 compiler... yes > checking whether gfortran accepts -g... yes > setting F77... gfortran > using F90... gfortran > setting FFLAGS... -O3 > setting F90FLAGS... $(FFLAGS) -x f95-cpp-input > setting FFLAGS_NOOPT... -O0 > setting CFLAGS... -O3 > setting CPP... cpp > setting CPPFLAGS... -P -traditional > setting LD... mpif90 > setting LDFLAGS... -static > setting AR... ar > setting ARFLAGS... ruv > setting ARFLAGS_DYNAMIC...ruv > checking whether make sets $(MAKE)... yes > checking whether Fortran files must be preprocessed... no > checking how to get verbose linking output from gfortran... -v > checking for Fortran libraries of gfortran... > -L/usr/lib/gcc/x86_64-redhat-linux6E/4.3.2 > -L/usr/lib/gcc/x86_64-redhat-linux6E/4.3.2/../../../../lib64 > -L/lib/../lib64 > -L/usr/lib/../lib64 -L/opt/intel/Compiler/11.1/046/lib/intel64 > -L/opt/intel/Compiler/11.1/046/ipp/em64t/lib > -L/opt/intel/Compiler/11.1/046/mkl/lib/em64t > > -L/opt/intel/Compiler/11.1/046/tbb/em64t/cc4.1.0_libc2.4_kernel2.6.16.21/lib > -L/usr/lib/gcc/x86_64-redhat-linux6E/4.3.2/../../.. -lgfortranbegin > -lgfortran -lm -lgcc_s > checking for dummy main to link with Fortran libraries... none > checking for Fortran name-mangling scheme... lower case, underscore, no > extra underscore > checking for library containing dgemm... no > in /usr/local/lib: checking for library containing dgemm... no > in /opt/intel/Compiler/11.1/046/lib/intel64: checking for library > containing > dgemm... no > in /opt/intel/Compiler/11.1/046/ipp/em64t/sharedlib: checking for library > containing dgemm... no > in /opt/intel/Compiler/11.1/046/mkl/lib/em64t: checking for library > containing dgemm... no > in > /opt/intel/Compiler/11.1/046/tbb/em64t/cc4.1.0_libc2.4_kernel2.6.16.21/lib: > checking for library containing dgemm... no > in /opt/gridengine/lib/lx26-amd64: checking for library containing dgemm... > no > in /opt/gridengine/lib/lx26-amd64: checking for library containing dgemm... > no > checking for library containing dgemm... no > in /usr/local/lib: checking for library containing dgemm... no > in /opt/intel/Compiler/11.1/046/lib/intel64: checking for library > containing > dgemm... no > in /opt/intel/Compiler/11.1/046/ipp/em64t/sharedlib: checking for library > containing dgemm... no > in /opt/intel/Compiler/11.1/046/mkl/lib/em64t: checking for library > containing dgemm... no > in > /opt/intel/Compiler/11.1/046/tbb/em64t/cc4.1.0_libc2.4_kernel2.6.16.21/lib: > checking for library containing dgemm... no > in /opt/gridengine/lib/lx26-amd64: checking for library containing dgemm... > no > in /opt/gridengine/lib/lx26-amd64: checking for library containing dgemm... > no > checking for library containing zggev... no > in /usr/local/lib: checking for library containing zggev... no > in /opt/intel/Compiler/11.1/046/lib/intel64: checking for library > containing > zggev... no > in /opt/intel/Compiler/11.1/046/ipp/em64t/sharedlib: checking for library > containing zggev... no > in /opt/intel/Compiler/11.1/046/mkl/lib/em64t: checking for library > containing zggev... no > in > /opt/intel/Compiler/11.1/046/tbb/em64t/cc4.1.0_libc2.4_kernel2.6.16.21/lib: > checking for library containing zggev... no > in /opt/gridengine/lib/lx26-amd64: checking for library containing zggev... > no > in /opt/gridengine/lib/lx26-amd64: checking for library containing zggev... > no > setting BLAS_LIBS... ../flib/blas.a > setting LAPACK_LIBS... ../flib/lapack.a > checking for library containing fftwnd... no > in /usr/local/lib: checking for library containing fftwnd... no > in /cineca/prod/gnu/lib: checking for library containing fftwnd... no > in /opt/intel/Compiler/11.1/046/lib/intel64: checking for library > containing > fftwnd... no > in /opt/intel/Compiler/11.1/046/ipp/em64t/sharedlib: checking for library > containing fftwnd... no > in /opt/intel/Compiler/11.1/046/mkl/lib/em64t: checking for library > containing fftwnd... no > in > /opt/intel/Compiler/11.1/046/tbb/em64t/cc4.1.0_libc2.4_kernel2.6.16.21/lib: > checking for library containing fftwnd... no > in /opt/gridengine/lib/lx26-amd64: checking for library containing > fftwnd... > no > in /opt/gridengine/lib/lx26-amd64: checking for library containing > fftwnd... > no > setting FFT_LIBS... > checking for library containing fftwnd... (cached) no > setting MASS_LIBS... > checking for library containing mpi_init... no > setting MPI_LIBS... > checking for library containing mpi_init... (cached) no > setting DFLAGS... -D__GFORTRAN -D__FFTW -D__USE_INTERNAL_FFTW > setting IFLAGS... -I../include > setting FDFLAGS... $(DFLAGS) > setting RANLIB... echo > configure: creating ./config.status > config.status: creating include/fft_defs.h > config.status: creating make.sys > config.status: creating configure.msg > config.status: creating include/c_defs.h > config.status: include/c_defs.h is unchanged > -------------------------------------------------------------------- > ESPRESSO can take advantage of several optimized numerical libraries > (essl, fftw, mkl...). This configure script attempts to find them, > but may fail if they have been installed in non-standard locations. > If a required library is not found, the local copy will be compiled. > > The following libraries have been found: > BLAS_LIBS=../flib/blas.a > LAPACK_LIBS=../flib/lapack.a > FFT_LIBS= > Please check if this is what you expect. > > If any libraries are missing, you may specify a list of directories > to search and retry, as follows: > ./configure LIBDIRS="list of directories, separated by spaces" > > Parallel environment not detected (is this a parallel machine?). > Configured for compilation of serial executables. > > For more info, read the ESPRESSO User's Guide (Doc/users-guide.tex). > -------------------------------------------------------------------- > configure: success > ______________________________________________ > > but parallel version is not getting compiled > > > sincerely, > Sreekar Guddeti > Dept. Physics > IIT Bombay > India > > > > > On Mon, Sep 7, 2009 at 5:23 AM, <pw_forum-request at pwscf.org> wrote: > > > Send Pw_forum mailing list submissions to > > pw_forum at pwscf.org > > > > To subscribe or unsubscribe via the World Wide Web, visit > > http://www.democritos.it/mailman/listinfo/pw_forum > > or, via email, send a message with subject or body 'help' to > > pw_forum-request at pwscf.org > > > > You can reach the person managing the list at > > pw_forum-owner at pwscf.org > > > > When replying, please edit your Subject line so it is more specific > > than "Re: Contents of Pw_forum digest..." > > > > > > Today's Topics: > > > > 1. Re: Pw_forum Digest, Vol 27, Issue 24 (sreekar guddeti) > > > > > > ---------------------------------------------------------------------- > > > > Message: 1 > > Date: Mon, 7 Sep 2009 05:23:12 +0530 > > From: sreekar guddeti <colonel.sreekar at gmail.com> > > Subject: Re: [Pw_forum] Pw_forum Digest, Vol 27, Issue 24 > > To: pw_forum at pwscf.org > > Message-ID: > > <c864e4460909061653j5cfaea62t9e77de6d42dba9da at mail.gmail.com> > > Content-Type: text/plain; charset="iso-8859-1" > > > > i have set variable LD_FLAGS = static in make.sys file > > > > and on $make all > > > > i get error > > ---------------------------------------- > > libiotk.a > > mpif90 -O3 -x f95-cpp-input -D__GFORTRAN -D__FFTW -D__USE_INTERNAL_FFTW > > -D__MPI -D__PARA -I../include -I./ -I../Modules -I../iotk/src -I../PW > > -I../PH -c iotk_print_kinds.f90 > > make loclib_only > > make[3]: Entering directory `/home3/colonel/espresso-4.0.5/iotk/src' > > make[3]: Nothing to be done for `loclib_only'. > > make[3]: Leaving directory `/home3/colonel/espresso-4.0.5/iotk/src' > > mpif90 -static -o iotk_print_kinds.x iotk_print_kinds.o libiotk.a > > /opt/openmpi/lib/libopen-pal.a(dlopen.o): In function `vm_open': > > (.text+0x123): warning: Using 'dlopen' in statically linked applications > > requires at runtime the shared libraries from the glibc version used for > > linking > > /opt/openmpi/lib/libopen-rte.a(sys_info.o): In function `orte_sys_info': > > (.text+0x16f): warning: Using 'getpwuid' in statically linked > applications > > requires at runtime the shared libraries from the glibc version used for > > linking > > /opt/openmpi/lib/libopen-pal.a(if.o): In function `opal_ifaddrtoname': > > (.text+0x780): warning: Using 'gethostbyname' in statically linked > > applications requires at runtime the shared libraries from the glibc > > version > > used for linking > > > > > /usr/lib/gcc/x86_64-redhat-linux6E/4.3.2/../../../../lib64/libc.a(malloc.o): > > In function `__malloc_check_init': > > (.text+0x1060): multiple definition of `__malloc_check_init' > > /opt/openmpi/lib/libopen-pal.a(lt1-malloc.o):(.text+0x3a0): first defined > > here > > /usr/bin/ld: Warning: size of symbol `__malloc_check_init' changed from > 144 > > in /opt/openmpi/lib/libopen-pal.a(lt1-malloc.o) to 105 in > > > /usr/lib/gcc/x86_64-redhat-linux6E/4.3.2/../../../../lib64/libc.a(malloc.o) > > > > > /usr/lib/gcc/x86_64-redhat-linux6E/4.3.2/../../../../lib64/libc.a(malloc.o): > > In function `_int_free': > > (.text+0x2230): multiple definition of `_int_free' > > /opt/openmpi/lib/libopen-pal.a(lt1-malloc.o):(.text+0x1030): first > defined > > here > > /usr/bin/ld: Warning: size of symbol `_int_free' changed from 1219 in > > /opt/openmpi/lib/libopen-pal.a(lt1-malloc.o) to 2080 in > > > /usr/lib/gcc/x86_64-redhat-linux6E/4.3.2/../../../../lib64/libc.a(malloc.o) > > > > > /usr/lib/gcc/x86_64-redhat-linux6E/4.3.2/../../../../lib64/libc.a(malloc.o): > > In function `_int_malloc': > > (.text+0x2a50): multiple definition of `_int_malloc' > > /opt/openmpi/lib/libopen-pal.a(lt1-malloc.o):(.text+0x18c0): first > defined > > here > > /usr/bin/ld: Warning: size of symbol `_int_malloc' changed from 3916 in > > /opt/openmpi/lib/libopen-pal.a(lt1-malloc.o) to 3754 in > > > /usr/lib/gcc/x86_64-redhat-linux6E/4.3.2/../../../../lib64/libc.a(malloc.o) > > > > > /usr/lib/gcc/x86_64-redhat-linux6E/4.3.2/../../../../lib64/libc.a(malloc.o): > > In function `_int_memalign': > > (.text+0x3900): multiple definition of `_int_memalign' > > /opt/openmpi/lib/libopen-pal.a(lt1-malloc.o):(.text+0x2d40): first > defined > > here > > /usr/bin/ld: Warning: size of symbol `_int_memalign' changed from 577 in > > /opt/openmpi/lib/libopen-pal.a(lt1-malloc.o) to 550 in > > > /usr/lib/gcc/x86_64-redhat-linux6E/4.3.2/../../../../lib64/libc.a(malloc.o) > > > > > /usr/lib/gcc/x86_64-redhat-linux6E/4.3.2/../../../../lib64/libc.a(malloc.o): > > In function `_int_valloc': > > (.text+0x3c30): multiple definition of `_int_valloc' > > /opt/openmpi/lib/libopen-pal.a(lt1-malloc.o):(.text+0x2f90): first > defined > > here > > /usr/bin/ld: Warning: size of symbol `_int_valloc' changed from 378 in > > /opt/openmpi/lib/libopen-pal.a(lt1-malloc.o) to 62 in > > > /usr/lib/gcc/x86_64-redhat-linux6E/4.3.2/../../../../lib64/libc.a(malloc.o) > > > > > /usr/lib/gcc/x86_64-redhat-linux6E/4.3.2/../../../../lib64/libc.a(malloc.o): > > In function `_int_realloc': > > (.text+0x3d80): multiple definition of `_int_realloc' > > /opt/openmpi/lib/libopen-pal.a(lt1-malloc.o):(.text+0x3180): first > defined > > here > > /usr/bin/ld: Warning: size of symbol `_int_realloc' changed from 875 in > > /opt/openmpi/lib/libopen-pal.a(lt1-malloc.o) to 1411 in > > > /usr/lib/gcc/x86_64-redhat-linux6E/4.3.2/../../../../lib64/libc.a(malloc.o) > > > > > /usr/lib/gcc/x86_64-redhat-linux6E/4.3.2/../../../../lib64/libc.a(malloc.o): > > In function `free': > > (.text+0x5f20): multiple definition of `free' > > /opt/openmpi/lib/libopen-pal.a(lt1-malloc.o):(.text+0x1500): first > defined > > here > > /usr/bin/ld: Warning: size of symbol `free' changed from 256 in > > /opt/openmpi/lib/libopen-pal.a(lt1-malloc.o) to 454 in > > > /usr/lib/gcc/x86_64-redhat-linux6E/4.3.2/../../../../lib64/libc.a(malloc.o) > > > > > /usr/lib/gcc/x86_64-redhat-linux6E/4.3.2/../../../../lib64/libc.a(malloc.o): > > In function `malloc': > > (.text+0x4690): multiple definition of `malloc' > > /opt/openmpi/lib/libopen-pal.a(lt1-malloc.o):(.text+0x3830): first > defined > > here > > /usr/bin/ld: Warning: size of symbol `malloc' changed from 363 in > > /opt/openmpi/lib/libopen-pal.a(lt1-malloc.o) to 466 in > > > /usr/lib/gcc/x86_64-redhat-linux6E/4.3.2/../../../../lib64/libc.a(malloc.o) > > > > > /usr/lib/gcc/x86_64-redhat-linux6E/4.3.2/../../../../lib64/libc.a(malloc.o): > > In function `realloc': > > (.text+0x60f0): multiple definition of `realloc' > > /opt/openmpi/lib/libopen-pal.a(lt1-malloc.o):(.text+0x3bc0): first > defined > > here > > /usr/bin/ld: Warning: size of symbol `realloc' changed from 490 in > > /opt/openmpi/lib/libopen-pal.a(lt1-malloc.o) to 1184 in > > > /usr/lib/gcc/x86_64-redhat-linux6E/4.3.2/../../../../lib64/libc.a(malloc.o) > > collect2: ld returned 1 exit status > > make[2]: *** [iotk_print_kinds.x] Error 1 > > make[2]: Leaving directory `/home3/colonel/espresso-4.0.5/iotk/src' > > make[1]: *** [lib+util] Error 2 > > make[1]: Leaving directory `/home3/colonel/espresso-4.0.5/iotk' > > make: *** [libiotk] Error 2 > > > > --------------------------------------------- > > > > sincerely > > > > > > On Sun, Sep 6, 2009 at 11:35 PM, <pw_forum-request at pwscf.org> wrote: > > > > > Send Pw_forum mailing list submissions to > > > pw_forum at pwscf.org > > > > > > To subscribe or unsubscribe via the World Wide Web, visit > > > http://www.democritos.it/mailman/listinfo/pw_forum > > > or, via email, send a message with subject or body 'help' to > > > pw_forum-request at pwscf.org > > > > > > You can reach the person managing the list at > > > pw_forum-owner at pwscf.org > > > > > > When replying, please edit your Subject line so it is more specific > > > than "Re: Contents of Pw_forum digest..." > > > > > > > > > Today's Topics: > > > > > > 1. Re: pw.x running but nothing happens (Bipul Rakshit) > > > 2. pseudo potential (Mansoureh Pashangpour) > > > 3. Re: error loading shared libraries on parallel execution > > > (Paolo Giannozzi) > > > 4. Re: pw.x running but nothing happens (Lorenzo Paulatto) > > > 5. Re: Pw_forum Digest, Vol 27, Issue 23 (sreekar guddeti) > > > > > > > > > ---------------------------------------------------------------------- > > > > > > Message: 1 > > > Date: Sun, 6 Sep 2009 08:03:29 +0100 > > > From: Bipul Rakshit <bipulrr at gmail.com> > > > Subject: Re: [Pw_forum] pw.x running but nothing happens > > > To: PWSCF Forum <pw_forum at pwscf.org> > > > Message-ID: > > > <3a749910909060003k38e7f62fn4aa040900b71b42c at mail.gmail.com> > > > Content-Type: text/plain; charset="gb2312" > > > > > > Dear Wangqj, > > > The same thing happens to me. > > > since you are using large no. of wfc, although it shows the job is > > running > > > in 8 procs, but sometimes if the installation is not proper, it is > > running > > > in 1 procs only. > > > > > > So better you check the parallel installation using a small job, with > > > different no. of procs and see whether its taking lesser time as no. > of > > > procs increases or not? > > > > > > cheers > > > > > > 2009/9/6 wangqj1 <wangqj1 at 126.com> > > > > > > > > > > > Dear pwscf users > > > > When I run vc-relax on the computing cluster use one node which > > has > > > 8 > > > > CPUs. > > > > The output file is as following: > > > > > > > > Program PWSCF v.4.0.1 starts ... > > > > Today is 6Sep2009 at 7:49:30 > > > > Parallel version (MPI) > > > > Number of processors in use: 8 > > > > R & G space division: proc/pool = 8 > > > > For Norm-Conserving or Ultrasoft (Vanderbilt) Pseudopotentials > or > > > PAW > > > > ..................................................................... > > > > Initial potential from superposition of free atoms > > > > starting charge 435.99565, renormalised to 436.00000 > > > > Starting wfc are 254 atomic + 8 random wfc > > > > > > > > After one day ,it still like this and no iteration has completed > ,there > > > is > > > > also no error was turn up .There is no error in the input file > because > > I > > > > have test it on anthoer computer which has 4 CPUs and it runs well . > > > > I can't find the reason about this ,any help will be appreciated . > > > > Best Regards > > > > Q.J.Wang > > > > XiangTan University > > > > > > > > > > > > > > > > ------------------------------ > > > > ???????????,www.yeah.net <http://www.yeah.net/?from=footer> > > > > _______________________________________________ > > > > Pw_forum mailing list > > > > Pw_forum at pwscf.org > > > > http://www.democritos.it/mailman/listinfo/pw_forum > > > > > > > > > > > > > > > > > -- > > > Dr. Bipul Rakshit > > > Research Associate, > > > S N Bose Centre for Basic Sciences, > > > Salt Lake, > > > Kolkata 700 098 > > > India > > > -------------- next part -------------- > > > An HTML attachment was scrubbed... > > > URL: > > > > > > http://www.democritos.it/pipermail/pw_forum/attachments/20090906/197c5bd6/attachment-0001.htm > > > > > > ------------------------------ > > > > > > Message: 2 > > > Date: Sun, 6 Sep 2009 11:25:06 +0330 > > > From: Mansoureh Pashangpour <mansourehp at gmail.com> > > > Subject: [Pw_forum] pseudo potential > > > To: PWSCF Forum <pw_forum at pwscf.org> > > > Message-ID: > > > <cbe1626b0909060055o66690789yc0ae02efdfa5391e at mail.gmail.com> > > > Content-Type: text/plain; charset="iso-8859-1" > > > > > > Dear all > > > how can I plot these pseudo potentials? how can I discribe the > > properties > > > of pseudo potentials? > > > > > > *Fe.pbe-nd-rrkjus.UPF*< > > > http://www.pwscf.org/pseudo/1.3/UPF/Fe.pbe-nd-rrkjus.UPF> > > > ( > > > *details*< > > > http://www.pwscf.org/pseudo/upfdetails.php?upf=Fe.pbe-nd-rrkjus.UPF>) > > > > > > > > > Perdew-Burke-Ernzerhof (PBE) exch-corr > > > nonlinear core-correction > > > semicore state d in valence > > > Rabe Rappe Kaxiras Joannopoulos (ultrasoft) > > > > > > and > > > > > > *H.pbe-rrkjus.UPF* < > http://www.pwscf.org/pseudo/1.3/UPF/H.pbe-rrkjus.UPF > > > > > > (*details* < > > > http://www.pwscf.org/pseudo/upfdetails.php?upf=H.pbe-rrkjus.UPF>) > > > > > > > > > Perdew-Burke-Ernzerhof (PBE) exch-corr > > > Rabe Rappe Kaxiras Joannopoulos (ultrasoft) > > > > > > > > > and > > > > > > *O.pbe-rrkjus.UPF* > > > <http://www.pwscf.org/pseudo/1.3/UPF/O.pbe-rrkjus.UPF> (*details* > > > <http://www.pwscf.org/pseudo/upfdetails.php?upf=O.pbe-rrkjus.UPF>) > > > > > > Perdew-Burke-Ernzerhof (PBE) exch-corr > > > Rabe Rappe Kaxiras Joannopoulos (ultrasoft) > > > > > > > > > Thanks > > > Mansoureh Pashangpour > > > Ph.D student > > > Islami Azad university > > > science & reaserch branch > > > Tehran, IRAN > > > -------------- next part -------------- > > > An HTML attachment was scrubbed... > > > URL: > > > > > > http://www.democritos.it/pipermail/pw_forum/attachments/20090906/3efcd6f0/attachment-0001.htm > > > > > > ------------------------------ > > > > > > Message: 3 > > > Date: Sun, 6 Sep 2009 10:24:48 +0200 > > > From: Paolo Giannozzi <giannozz at democritos.it> > > > Subject: Re: [Pw_forum] error loading shared libraries on parallel > > > execution > > > To: PWSCF Forum <pw_forum at pwscf.org> > > > Message-ID: <E6918F77-0C97-4F26-9F7E-BE790E9EFC6B at democritos.it> > > > Content-Type: text/plain; charset=US-ASCII; format=flowed > > > > > > > > > On Sep 6, 2009, at 1:20 , sreekar guddeti wrote: > > > > > > > plz suggest solutions which donot require root permissions , > > > > as i dont have > > > > > > somebody must have it. Report the problem and the > > > solution (i.e. install gfortran on ALL processors) to > > > whoever has root access. As an alternative, try static > > > link (add -static to LDFLAGS in make.sys). > > > --- > > > Paolo Giannozzi, Dept of Physics, University of Udine > > > via delle Scienze 208, 33100 Udine, Italy > > > Phone +39-0432-558216, fax +39-0432-558222 > > > > > > > > > > > > > > > > > > ------------------------------ > > > > > > Message: 4 > > > Date: Sun, 6 Sep 2009 12:20:40 +0200 (CEST) > > > From: "Lorenzo Paulatto" <paulatto at sissa.it> > > > Subject: Re: [Pw_forum] pw.x running but nothing happens > > > To: "PWSCF Forum" <pw_forum at pwscf.org> > > > Message-ID: <46134.78.12.159.112.1252232440.squirrel at webmail.sissa.it> > > > Content-Type: text/plain;charset=iso-8859-1 > > > > > > > > > On Sun, September 6, 2009 02:33, wangqj1 wrote: > > > > After one day ,it still like this and no iteration has completed > > ,there > > > > is > > > > also no error was turn up .There is no error in the input file > because > > I > > > > have test it on anthoer computer which has 4 CPUs and it runs well . > > > > I can't find the reason about this ,any help will be appreciated . > > > > > > > > > Dear QJ, > > > this is strange. But we would need more information on your hardwre > > > configuration in order to help you. In the mean while you can check the > > > behaviour of te pw.x processes with "top". E.g. if they are all runing > at > > > 100% CPU, how much memory they are taking and so on. > > > > > > regards > > > > > > > > > -- > > > Lorenzo Paulatto > > > SISSA & DEMOCRITOS (Trieste) > > > phone: +39 040 3787 511 > > > skype: paulatz > > > www: > > > http://people.sissa.it/~paulatto/<http://people.sissa.it/%7Epaulatto/> > <http://people.sissa.it/%7Epaulatto/> > > <http://people.sissa.it/%7Epaulatto/> > > > > > > > > > > > > ---------------------------------------------------------------- > > > SISSA Webmail https://webmail.sissa.it/ > > > Powered by SquirrelMail http://www.squirrelmail.org/ > > > > > > > > > > > > ------------------------------ > > > > > > Message: 5 > > > Date: Sun, 6 Sep 2009 23:35:26 +0530 > > > From: sreekar guddeti <colonel.sreekar at gmail.com> > > > Subject: Re: [Pw_forum] Pw_forum Digest, Vol 27, Issue 23 > > > To: pw_forum at pwscf.org > > > Message-ID: > > > <c864e4460909061105i43b1885dh6141b2789b8ae51 at mail.gmail.com> > > > Content-Type: text/plain; charset="iso-8859-1" > > > > > > @duy lee > > > i inserted the line #$ -V in my qsub script and the env variable > > > $LD_LIBRARY_PATH is being set from script... thanks for that but still > > > problem persists. > > > > > > @rakshit > > > > > > ----------------------------- > > > $find /usr/lib -name libgfortran* > > > ----------------------------- > > > and output is > > > _______________________ > > > /usr/lib/libgfortran.so.1.0.0 > > > /usr/lib/libgfortran.so.1 > > > /usr/lib/gcc/x86_64-redhat-linux6E/4.3.2/libgfortran.a > > > /usr/lib/gcc/x86_64-redhat-linux6E/4.3.2/libgfortranbegin.a > > > /usr/lib/gcc/x86_64-redhat-linux6E/4.3.2/libgfortran.so > > > /usr/lib/gcc/x86_64-redhat-linux6E/4.3.2/32/libgfortran.a > > > /usr/lib/gcc/x86_64-redhat-linux6E/4.3.2/32/libgfortranbegin.a > > > /usr/lib/gcc/x86_64-redhat-linux6E/4.3.2/32/libgfortran.so > > > _______________________ > > > whereas on doing > > > ----------------------------- > > > $find /usr/lib64 -name libgfortran* > > > ----------------------------- > > > ouput is > > > _________________ > > > /usr/lib64/libgfortran.so.3.0.0 > > > /usr/lib64/libgfortran.so.1.0.0 > > > /usr/lib64/libgfortran.so.1 > > > find: /usr/lib64/audit: Permission denied > > > */usr/lib64/libgfortran.so.3* > > > _________________ > > > > > > it means my OS has the required library, i guess > > > > > > i installed the QE on the head node > > > This cluster is a Rocks cluster with > > > > > > # of nodes: 10 (1 head node + 9 compute nodes) > > > # of processors/node: 8 > > > # Total # of processors: 10X8 = 80 > > > > > > i tested the sample program for submitting batch jobs using SGE utility > > and > > > it is working fine( > > > > > > > > > http://www.rocksclusters.org/roll-documentation/sge/5.2/submitting-batch-jobs.html > > > ) > > > > > > sincerely, > > > sreekar guddeti > > > Dept. Physics > > > IIT Bombay > > > India > > > > > > > > > On Sun, Sep 6, 2009 at 12:28 PM, <pw_forum-request at pwscf.org> wrote: > > > > > > > Send Pw_forum mailing list submissions to > > > > pw_forum at pwscf.org > > > > > > > > To subscribe or unsubscribe via the World Wide Web, visit > > > > http://www.democritos.it/mailman/listinfo/pw_forum > > > > or, via email, send a message with subject or body 'help' to > > > > pw_forum-request at pwscf.org > > > > > > > > You can reach the person managing the list at > > > > pw_forum-owner at pwscf.org > > > > > > > > When replying, please edit your Subject line so it is more specific > > > > than "Re: Contents of Pw_forum digest..." > > > > > > > > > > > > Today's Topics: > > > > > > > > 1. Re: error loading shared libraries on parallel execution (Duy > Le) > > > > 2. pw.x running but nothing happens (wangqj1) > > > > 3. Re: error loading shared libraries on parallel execution > > > > (Bipul Rakshit) > > > > > > > > > > > > > ---------------------------------------------------------------------- > > > > > > > > Message: 1 > > > > Date: Sat, 5 Sep 2009 19:39:17 -0400 > > > > From: Duy Le <ttduyle at gmail.com> > > > > Subject: Re: [Pw_forum] error loading shared libraries on parallel > > > > execution > > > > To: PWSCF Forum <pw_forum at pwscf.org> > > > > Message-ID: > > > > <8974d3b20909051639u575aed19xdf474c53f9a7d877 at mail.gmail.com> > > > > Content-Type: text/plain; charset="iso-8859-1" > > > > > > > > Hi,I am not sure if this help. Could you please try to add > > > > #$ -V in your submitting script. Like this: > > > > > > > > #!/bin/bash > > > > # > > > > #$ -V > > > > #$ -cwd > > > > #$ -j y > > > > #$ -S /bin/bash > > > > # > > > > > > > > Good luck. > > > > D. > > > > > > > > On Sat, Sep 5, 2009 at 7:20 PM, sreekar guddeti > > > > <colonel.sreekar at gmail.com>wrote: > > > > > > > > > i know this issuehas been addressed and documented in > troubleshooting > > > > > section of the users guide. > > > > > but i giveup in despair trying for a whole day to figure this > problem > > > > > i run my jobs on rocks cluster by using SGE's facility of > submitting > > > > batch > > > > > jobs > > > > > > > > > > > > > > > > > > > > http://www.rocksclusters.org/roll-documentation/sge/5.2/submitting-batch-jobs.html > > > > > > > > > > what i 'apparently' observe(or doubtfully infer) is that i can > > > > successfully > > > > > run a single parallel job, but on submitting a second job i get the > > > error > > > > > ____________________________________________ > > > > > /home3/colonel/espresso-4.0.5/bin/pw.x: error while loading shared > > > > > libraries: libgfortran.so.3: cannot open shared object file: No > such > > > > > file or directory > > > > > ____________________________________________ > > > > > > > > > > > > > > > i find out the path for the library and added to the > LD_LIBRARY_PATH > > by > > > > > writing > > > > > _______________________________________ > > > > > #set the library path to include gfortran libraries > > > > > export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/usr/lib64:/usr/lib > > > > > > > > > > > > > > > $ECHO > > > > > $ECHO "$LD_LIBRARY_PATH" > > > > > $ECHO > > > > > _______________________________________ > > > > > > > > > > in the file which acts as script for qsub ($qsub -pe orte 4 > > > > > dosroutine.qsub) which is > > > > > > > > > > dosroutine.qsub > > > > > ----------------------------------------------------------------- > > > > > > > > > > #!/bin/bash > > > > > # > > > > > #$ -cwd > > > > > #$ -j y > > > > > #$ -S /bin/bash > > > > > # > > > > > > > > > > #extract the info about no of processors involved from command line > > > > > arguments of 'qsub' > > > > > PROCESSORS=$NSLOTS > > > > > > > > > > #heuristically assign the no of processors per pool NPR > > > > > NPR=4 > > > > > #as a result no of pools are give by > > > > > NPK=`expr $PROCESSORS / $NPR` > > > > > > > > > > #!/bin/bash > > > > > # > > > > > # > > > > > #Script for performing a dos calculation on a parallel processor > > > > > WORKINGDIR=`pwd` > > > > > ECHO="echo" > > > > > > > > > > #set the library path to include gfortran libraries > > > > > export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/usr/lib64:/usr/lib > > > > > > > > > > > > > > > $ECHO > > > > > $ECHO "$LD_LIBRARY_PATH" > > > > > $ECHO > > > > > > > > > > # set the needed environment variables > > > > > > > > > > PREFIX=`cd /home3/colonel/espresso-4.0.5 ; pwd` > > > > > $ECHO $PREFIX > > > > > BIN_DIR=$PREFIX/bin > > > > > PSEUDO_DIR=$PREFIX/pseudo > > > > > TMP_DIR=$HOME/tmp > > > > > PARA_PREFIX="/opt/openmpi/bin/mpirun -np $PROCESSORS" > > > > > PARA_POSTFIX="-npool $NPK" > > > > > > > > > > # required executables and pseudopotentials > > > > > $ECHO > > > > > $ECHO " executables directory: $BIN_DIR" > > > > > $ECHO " pseudo directory: $PSEUDO_DIR" > > > > > $ECHO " temporary directory: $TMP_DIR" > > > > > > > > > > #create results directory > > > > > for DIR in "$TMP_DIR" "$WORKINGDIR/results" ; do > > > > > if test ! -d $DIR ; then > > > > > mkdir $DIR > > > > > fi > > > > > done > > > > > cd $WORKINGDIR/results > > > > > > > > > > > > > > > # variables to represent programs > > > > > PW_COMMAND="$PARA_PREFIX $BIN_DIR/pw.x $PARA_POSTFIX" > > > > > DOS_COMMAND="$PARA_PREFIX $BIN_DIR/dos.x $PARA_POSTFIX" > > > > > PROJWFC_COMMAND="$PARA_PREFIX $BIN_DIR/projwfc.x $PARA_POSTFIX" > > > > > > > > > > > > > > > # DOS calculation for 0Ni0 > > > > > cat > 0ni0.dos.in << EOF > > > > > &control > > > > > calculation='nscf' > > > > > restart_mode='from_scratch', > > > > > prefix='0ni0', > > > > > pseudo_dir = '$PSEUDO_DIR/', > > > > > outdir='$TMP_DIR/' > > > > > / > > > > > &system > > > > > ibrav=2, celldm(1) =6.48, nat=1, ntyp=1, > > > > > nspin = 2, starting_magnetization(1)=0.7, > > > > > ecutwfc = 24.0, ecutrho = 288.0, nbnd=8, > > > > > occupations='tetrahedra' > > > > > / > > > > > &electrons > > > > > conv_thr = 1.0e-10 > > > > > mixing_beta = 0.7 > > > > > / > > > > > ATOMIC_SPECIES > > > > > Ni 58.69 NiUS.RRKJ3.UPF > > > > > ATOMIC_POSITIONS > > > > > Ni 0.0 0.0 0.0 > > > > > K_POINTS {automatic} !special points generated by tetrahedra > > > > method > > > > > 12 12 12 0 0 0 > > > > > EOF > > > > > > > > > > $ECHO " running DOS calculation for 0Ni0 ...\c" > > > > > $PW_COMMAND < 0ni0.dos.in > 0ni0.dos.out > > > > > $ECHO > > > > > $ECHO " done" > > > > > > > > > > ------------------------------------------------------------- > > > > > > > > > > the output i get is > > > > > > > > > > ************************************************ > > > > > :/usr/lib64:/usr/lib > > > > > > > > > > /home3/colonel/espresso-4.0.5 > > > > > > > > > > executables directory: /home3/colonel/espresso-4.0.5/bin > > > > > pseudo directory: /home3/colonel/espresso-4.0.5/pseudo > > > > > temporary directory: /home3/colonel/tmp > > > > > running DOS calculation for 0Ni0 ...\c > > > > > /home3/colonel/espresso-4.0.5/bin/pw.x: error while loading shared > > > > > libraries: libgfortran.so.3: cannot open shared object file: No > such > > > > > file or directory > > > > > /home3/colonel/espresso-4.0.5/bin/pw.x: error while loading shared > > > > > libraries: libgfortran.so.3: cannot open shared object file: No > such > > > > > file or directory > > > > > /home3/colonel/espresso-4.0.5/bin/pw.x: error while loading shared > > > > > libraries: libgfortran.so.3: cannot open shared object file: No > such > > > > > file or directory > > > > > /home3/colonel/espresso-4.0.5/bin/pw.x: error while loading shared > > > > > libraries: libgfortran.so.3: cannot open shared object file: No > such > > > > > file or directory > > > > > > > > > > done > > > > > ************************************************* > > > > > plz suggest solutions which donot require root permissions , as i > > dont > > > > have > > > > > thanks in advance > > > > > -- > > > > > Sreekar Guddeti > > > > > Department of Physics > > > > > > > > > > _______________________________________________ > > > > > Pw_forum mailing list > > > > > Pw_forum at pwscf.org > > > > > http://www.democritos.it/mailman/listinfo/pw_forum > > > > > > > > > > > > > > > > > > > > > > -- > > > > -------------------------------------------------- > > > > Duy Le > > > > PhD Student > > > > Department of Physics > > > > University of Central Florida. > > > > -------------- next part -------------- > > > > An HTML attachment was scrubbed... > > > > URL: > > > > > > > > > > http://www.democritos.it/pipermail/pw_forum/attachments/20090905/010fb1e3/attachment-0001.htm > > > > > > > > ------------------------------ > > > > > > > > Message: 2 > > > > Date: Sun, 6 Sep 2009 08:33:25 +0800 (CST) > > > > From: wangqj1 <wangqj1 at 126.com> > > > > Subject: [Pw_forum] pw.x running but nothing happens > > > > To: pw_forum <pw_forum at pwscf.org> > > > > Message-ID: > > > > < > > 25470012.218281252197205181.JavaMail.coremail at bj126app52.126.com > > > > > > > > Content-Type: text/plain; charset="gbk" > > > > > > > > > > > > Dear pwscf users > > > > When I run vc-relax on the computing cluster use one node which > has > > 8 > > > > CPUs. > > > > The output file is as following: > > > > > > > > Program PWSCF v.4.0.1 starts ... > > > > Today is 6Sep2009 at 7:49:30 > > > > Parallel version (MPI) > > > > Number of processors in use: 8 > > > > R & G space division: proc/pool = 8 > > > > For Norm-Conserving or Ultrasoft (Vanderbilt) Pseudopotentials or > > PAW > > > > ..................................................................... > > > > Initial potential from superposition of free atoms > > > > starting charge 435.99565, renormalised to 436.00000 > > > > Starting wfc are 254 atomic + 8 random wfc > > > > > > > > After one day ,it still like this and no iteration has completed > ,there > > > is > > > > also no error was turn up .There is no error in the input file > because > > I > > > > have test it on anthoer computer which has 4 CPUs and it runs well . > > > > I can't find the reason about this ,any help will be appreciated . > > > > Best Regards > > > > Q.J.Wang > > > > XiangTan University > > > > > > > > -------------- next part -------------- > > > > An HTML attachment was scrubbed... > > > > URL: > > > > > > > > > > http://www.democritos.it/pipermail/pw_forum/attachments/20090906/a4269bb4/attachment-0001.htm > > > > > > > > ------------------------------ > > > > > > > > Message: 3 > > > > Date: Sun, 6 Sep 2009 07:58:49 +0100 > > > > From: Bipul Rakshit <bipulrr at gmail.com> > > > > Subject: Re: [Pw_forum] error loading shared libraries on parallel > > > > execution > > > > To: PWSCF Forum <pw_forum at pwscf.org> > > > > Message-ID: < > 3a749910909052358m6f23c3sf5bdbba1b595d8d5 at mail.gmail.com> > > > > Content-Type: text/plain; charset="iso-8859-1" > > > > > > > > hi, > > > > Just from root user type > > > > yum install libgfortran.so.3 > > > > > > > > then it will install this files which is not present in your machine > > > > > > > > On Sun, Sep 6, 2009 at 12:20 AM, sreekar guddeti > > > > <colonel.sreekar at gmail.com>wrote: > > > > > > > > > i know this issuehas been addressed and documented in > troubleshooting > > > > > section of the users guide. > > > > > but i giveup in despair trying for a whole day to figure this > problem > > > > > i run my jobs on rocks cluster by using SGE's facility of > submitting > > > > batch > > > > > jobs > > > > > > > > > > > > > > > > > > > > http://www.rocksclusters.org/roll-documentation/sge/5.2/submitting-batch-jobs.html > > > > > > > > > > what i 'apparently' observe(or doubtfully infer) is that i can > > > > successfully > > > > > run a single parallel job, but on submitting a second job i get the > > > error > > > > > ____________________________________________ > > > > > /home3/colonel/espresso-4.0.5/bin/pw.x: error while loading shared > > > > > libraries: libgfortran.so.3: cannot open shared object file: No > such > > > > > file or directory > > > > > ____________________________________________ > > > > > > > > > > > > > > > i find out the path for the library and added to the > LD_LIBRARY_PATH > > by > > > > > writing > > > > > _______________________________________ > > > > > #set the library path to include gfortran libraries > > > > > export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/usr/lib64:/usr/lib > > > > > > > > > > > > > > > $ECHO > > > > > $ECHO "$LD_LIBRARY_PATH" > > > > > $ECHO > > > > > _______________________________________ > > > > > > > > > > in the file which acts as script for qsub ($qsub -pe orte 4 > > > > > dosroutine.qsub) which is > > > > > > > > > > dosroutine.qsub > > > > > ----------------------------------------------------------------- > > > > > > > > > > #!/bin/bash > > > > > # > > > > > #$ -cwd > > > > > #$ -j y > > > > > #$ -S /bin/bash > > > > > # > > > > > > > > > > #extract the info about no of processors involved from command line > > > > > arguments of 'qsub' > > > > > PROCESSORS=$NSLOTS > > > > > > > > > > #heuristically assign the no of processors per pool NPR > > > > > NPR=4 > > > > > #as a result no of pools are give by > > > > > NPK=`expr $PROCESSORS / $NPR` > > > > > > > > > > #!/bin/bash > > > > > # > > > > > # > > > > > #Script for performing a dos calculation on a parallel processor > > > > > WORKINGDIR=`pwd` > > > > > ECHO="echo" > > > > > > > > > > #set the library path to include gfortran libraries > > > > > export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:/usr/lib64:/usr/lib > > > > > > > > > > > > > > > $ECHO > > > > > $ECHO "$LD_LIBRARY_PATH" > > > > > $ECHO > > > > > > > > > > # set the needed environment variables > > > > > > > > > > PREFIX=`cd /home3/colonel/espresso-4.0.5 ; pwd` > > > > > $ECHO $PREFIX > > > > > BIN_DIR=$PREFIX/bin > > > > > PSEUDO_DIR=$PREFIX/pseudo > > > > > TMP_DIR=$HOME/tmp > > > > > PARA_PREFIX="/opt/openmpi/bin/mpirun -np $PROCESSORS" > > > > > PARA_POSTFIX="-npool $NPK" > > > > > > > > > > # required executables and pseudopotentials > > > > > $ECHO > > > > > $ECHO " executables directory: $BIN_DIR" > > > > > $ECHO " pseudo directory: $PSEUDO_DIR" > > > > > $ECHO " temporary directory: $TMP_DIR" > > > > > > > > > > #create results directory > > > > > for DIR in "$TMP_DIR" "$WORKINGDIR/results" ; do > > > > > if test ! -d $DIR ; then > > > > > mkdir $DIR > > > > > fi > > > > > done > > > > > cd $WORKINGDIR/results > > > > > > > > > > > > > > > # variables to represent programs > > > > > PW_COMMAND="$PARA_PREFIX $BIN_DIR/pw.x $PARA_POSTFIX" > > > > > DOS_COMMAND="$PARA_PREFIX $BIN_DIR/dos.x $PARA_POSTFIX" > > > > > PROJWFC_COMMAND="$PARA_PREFIX $BIN_DIR/projwfc.x $PARA_POSTFIX" > > > > > > > > > > > > > > > # DOS calculation for 0Ni0 > > > > > cat > 0ni0.dos.in << EOF > > > > > &control > > > > > calculation='nscf' > > > > > restart_mode='from_scratch', > > > > > prefix='0ni0', > > > > > pseudo_dir = '$PSEUDO_DIR/', > > > > > outdir='$TMP_DIR/' > > > > > / > > > > > &system > > > > > ibrav=2, celldm(1) =6.48, nat=1, ntyp=1, > > > > > nspin = 2, starting_magnetization(1)=0.7, > > > > > ecutwfc = 24.0, ecutrho = 288.0, nbnd=8, > > > > > occupations='tetrahedra' > > > > > / > > > > > &electrons > > > > > conv_thr = 1.0e-10 > > > > > mixing_beta = 0.7 > > > > > / > > > > > ATOMIC_SPECIES > > > > > Ni 58.69 NiUS.RRKJ3.UPF > > > > > ATOMIC_POSITIONS > > > > > Ni 0.0 0.0 0.0 > > > > > K_POINTS {automatic} !special points generated by tetrahedra > > > > method > > > > > 12 12 12 0 0 0 > > > > > EOF > > > > > > > > > > $ECHO " running DOS calculation for 0Ni0 ...\c" > > > > > $PW_COMMAND < 0ni0.dos.in > 0ni0.dos.out > > > > > $ECHO > > > > > $ECHO " done" > > > > > > > > > > ------------------------------------------------------------- > > > > > > > > > > the output i get is > > > > > > > > > > ************************************************ > > > > > :/usr/lib64:/usr/lib > > > > > > > > > > /home3/colonel/espresso-4.0.5 > > > > > > > > > > executables directory: /home3/colonel/espresso-4.0.5/bin > > > > > pseudo directory: /home3/colonel/espresso-4.0.5/pseudo > > > > > temporary directory: /home3/colonel/tmp > > > > > running DOS calculation for 0Ni0 ...\c > > > > > /home3/colonel/espresso-4.0.5/bin/pw.x: error while loading shared > > > > > libraries: libgfortran.so.3: cannot open shared object file: No > such > > > > > file or directory > > > > > /home3/colonel/espresso-4.0.5/bin/pw.x: error while loading shared > > > > > libraries: libgfortran.so.3: cannot open shared object file: No > such > > > > > file or directory > > > > > /home3/colonel/espresso-4.0.5/bin/pw.x: error while loading shared > > > > > libraries: libgfortran.so.3: cannot open shared object file: No > such > > > > > file or directory > > > > > /home3/colonel/espresso-4.0.5/bin/pw.x: error while loading shared > > > > > libraries: libgfortran.so.3: cannot open shared object file: No > such > > > > > file or directory > > > > > > > > > > done > > > > > ************************************************* > > > > > plz suggest solutions which donot require root permissions , as i > > dont > > > > have > > > > > thanks in advance > > > > > -- > > > > > Sreekar Guddeti > > > > > Department of Physics > > > > > > > > > > _______________________________________________ > > > > > Pw_forum mailing list > > > > > Pw_forum at pwscf.org > > > > > http://www.democritos.it/mailman/listinfo/pw_forum > > > > > > > > > > > > > > > > > > > > > > -- > > > > Dr. Bipul Rakshit > > > > Research Associate, > > > > S N Bose Centre for Basic Sciences, > > > > Salt Lake, > > > > Kolkata 700 098 > > > > India > > > > -------------- next part -------------- > > > > An HTML attachment was scrubbed... > > > > URL: > > > > > > > > > > http://www.democritos.it/pipermail/pw_forum/attachments/20090906/d919f229/attachment.htm > > > > > > > > ------------------------------ > > > > > > > > _______________________________________________ > > > > Pw_forum mailing list > > > > Pw_forum at pwscf.org > > > > http://www.democritos.it/mailman/listinfo/pw_forum > > > > > > > > > > > > End of Pw_forum Digest, Vol 27, Issue 23 > > > > **************************************** > > > > > > > > > > > > > > > > -- > > > Sreekar Guddeti > > > -------------- next part -------------- > > > An HTML attachment was scrubbed... > > > URL: > > > > > > http://www.democritos.it/pipermail/pw_forum/attachments/20090906/b1909ffa/attachment.htm > > > > > > ------------------------------ > > > > 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