Dear All,<div><div><br></div><div>I end up with a problem during complilation of Cp2k on my computer.</div><div>During compilation, there was a problem with the below error message.</div><div> </div><div>-----</div><div>mpif90 -D__INTEL -D__FFTSG -D__parallel -D__BLACS -D__SCALAPACK -D__FFTW3 -I -O3 -xW -heap-arrays 64 -funroll-loops -fpp -free -D__COMPILE_ARCH="\"Linux-x86-64-intel\"" -D__COMPILE_DATE="\"Tue Nov 1 12:00:13 CET 2011\"" -D__COMPILE_HOST="\"ektorp\"" -D__COMPILE_LASTCVS="\"D/lib////\"" -I -o /home/work/</div>
<div>Software_Try/cp2k/cp2k/makefiles/../exe/Linux-x86-64-intel/cp2k.popt cp2k.o /home/work/Software_Try/cp2k/cp2k/makefiles/../lib/Linux-x86-64-intel/popt/libcp2k_lib.a /home/Software_Try/cp2k/cp2k/makefiles/../lib/Linux-x86-64-intel/popt/libcp2k_dbcsr_lib.a /home/Software_Try/cp2k/cp2k/makefiles/../lib/Linux-x86-64-intel/popt/libcp2k_fft_lib.a /home/Software_Try/cp2k/cp2k/makefiles/../lib/Linux-x86-64-intel/popt/libcp2k_base_lib.a /home/Software_Try/cp2k/cp2k/makefiles/../lib/Linux-x86-64-intel/popt/libcp2k_ma_lib.a /libscalapack.a /libblacs_init.a /libblacs.a /libacml.a /libacml_mv.a /libfftw3.a</div>
<div><div><br></div><div> 566 ld: cannot find /libfftw3.a: No such file or directory</div></div><div>-----</div><div><br></div><div>I get rid of this problem, by manually specifying the location of libfftw3.a file</div>
<div>as follows</div><div> </div><div>mpif90 -D__INTEL -D__FFTSG -D__parallel -D__BLACS -D__SCALAPACK -D__FFTW3 -I -O3 -xW -heap-arrays 64 -funroll-loops -fpp -free -D__COMPILE_ARCH="\"Linux-x86-64-intel\"" -D__COMPILE_DATE="\"Tue Nov 1 12:00:13 CET 2011\"" -D__COMPILE_HOST="\"ektorp\"" -D__COMPILE_LASTCVS="\"D/lib////\"" -I -o /home/work/Software_Try/cp2k/cp2k/makefiles/../exe/Linux-x86-64-intel/cp2k.popt cp2k.o /home/Software_Try/cp2k/cp2k/makefiles/../lib/Linux-x86-64-intel/popt/libcp2k_lib.a /home/Software_Try/cp2k/cp2k/makefiles/../lib/Linux-x86-64-intel/popt/libcp2k_dbcsr_lib.a /home/Software_Try/cp2k/cp2k/makefiles/../lib/Linux-x86-64-intel/popt/libcp2k_fft_lib.a /home/Software_Try/cp2k/cp2k/makefiles/../lib/Linux-x86-64-intel/popt/libcp2k_base_lib.a /home/Software_Try/cp2k/cp2k/makefiles/../lib/Linux-x86-64-intel/popt/libcp2k_ma_lib.a /libscalapack.a /libblacs_init.a /libblacs.a /libacml.a /libacml_mv.a ${HOME}/local/lib/libfftw3.a ${HOME}/local/lib/lapack_LINUX.a${HOME}/local/lib/libgoto2.a</div>
<div>------</div><div><br></div><div>After this, i end up with the file</div><div>called a.out on the makefile folder.</div><div>This is 5MB and looks like a executable.</div><div><br></div><div>But, when i execute it with the test folder in the ATOM section like</div>
<div>a.out Xe.in > Xe.out</div><div><br></div><div>I ended up with error.</div><div><br></div><div>----------------------------------</div><div><div> mynode 0 numnodes 1</div><div> dbcsr_io:dbcsr_print Contents of matrix named </div>
<div> this is my matrix a </div><div> </div><div> dbcsr_io:dbcsr_print Flags F F F type 3 serial 111111</div><div> dbcsr_io:dbcsr_print 0 blocks 0 nzes, 0 data els</div>
<div> 0 used</div><div> dbcsr_io:dbcsr_print Full size 8x 9</div><div> dbcsr_io:dbcsr_print Blocked size 4x 3</div></div><div>------------------------------------------------</div><div><br></div><div>I get the same error irrespective of what input file.</div>
<div><br></div><div>In this regard, could you please help where it is going wrong.</div><div><br></div><div>My best regards,</div><div>Muthukumar</div><div><br></div><div><br></div><div><br></div><div><br></div><div><br></div>
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