<html><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "> Dear Guille,<div><br class="webkit-block-placeholder"></div><div>I have no idea what you downloaded/upgraded.. but this function call "pw_grid_setup1" is not in the</div><div>CVS repository since quite some time (several months!!).</div><div>My guess is that you have a pretty old version..</div><div><br class="webkit-block-placeholder"></div><div>please do a "cvs update -A -d" from the main cp2k root directory and try to recompile it.</div><div>First try with the sopt.. if that works it must also work the popt (unless the mpif90 is getting a different</div><div>compiler version, which is always possible..)</div><div><br class="webkit-block-placeholder"></div><div>Cheers</div><div>Teo</div><div><br><div><div>On 7 Jul 2008, at 10:55, guille wrote:</div><blockquote type="cite"><p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="3" style="font: 12.0px Helvetica"><span class="Apple-converted-space"> </span>CALL pw_grid_setup1(cell_ref, xc_super_ref_pw_grid,</font></p> <p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="3" style="font: 12.0px Helvetica">print_section=print_section,&</font></p> <p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="3" style="font: 12.0px Helvetica">^</font></p> <p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="3" style="font: 12.0px Helvetica">fortcom: Error: pw_poisson_types.f90, line 327: The shapes of the</font></p> <p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="3" style="font: 12.0px Helvetica">array expressions do not conform. <span class="Apple-converted-space"> </span>[N_NEW]</font></p> <p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="3" style="font: 12.0px Helvetica"><span class="Apple-converted-space"> </span>n_new= pw_grid_n_for_fft(&</font></p> <p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="3" style="font: 12.0px Helvetica">-------------^</font></p> <p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="3" style="font: 12.0px Helvetica">fortcom: Error: pw_poisson_types.f90, line 331: The storage extent of</font></p> <p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="3" style="font: 12.0px Helvetica">the dummy argument exceeds that of the actual argument. <span class="Apple-converted-space"> </span>[BOUNDS]</font></p> <p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="3" style="font: 12.0px Helvetica"><span class="Apple-converted-space"> </span>CALL pw_grid_setup1(cell=cell_ref,</font></p> <p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="3" style="font: 12.0px Helvetica">pw_grid=mt_super_ref_pw_grid,&</font></p> <p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="3" style="font: 12.0px Helvetica">^</font></p> <p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="3" style="font: 12.0px Helvetica">compilation aborted for pw_poisson_types.f90 (code 1)</font></p> <p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="3" style="font: 12.0px Helvetica">make[1]: *** [pw_poisson_types.o] Error 1</font></p> <p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="3" style="font: 12.0px Helvetica">make[1]: *** Waiting for unfinished jobs....</font></p> <p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="3" style="font: 12.0px Helvetica">fortcom: Error: ewald_spline_util.f90, line 408: The shapes of the</font></p> <p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="3" style="font: 12.0px Helvetica">array expressions do not conform. <span class="Apple-converted-space"> </span>[DN]</font></p> <p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="3" style="font: 12.0px Helvetica"><span class="Apple-converted-space"> </span>dn = Eval_d_Interp_Spl3_pbc((/xs1,xs2,xs3/),TabLR,error)</font></p> <p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="3" style="font: 12.0px Helvetica">----------^</font></p> <p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="3" style="font: 12.0px Helvetica">compilation aborted for ewald_spline_util.f90 (code 1)</font></p> <p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="3" style="font: 12.0px Helvetica">make[1]: *** [ewald_spline_util.o] Error 1</font></p> <p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="3" style="font: 12.0px Helvetica">make: *** [build] Error 2</font></p> <p style="margin: 0.0px 0.0px 0.0px 0.0px; font: 12.0px Helvetica; min-height: 14.0px"><br></p> <p style="margin: 0.0px 0.0px 0.0px 0.0px; font: 12.0px Helvetica; min-height: 14.0px"><br></p> <p style="margin: 0.0px 0.0px 0.0px 0.0px; font: 12.0px Helvetica; min-height: 14.0px"><br></p> <p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="3" style="font: 12.0px Helvetica">It looks like an error in the code but it can't be: This version of</font></p> <p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="3" style="font: 12.0px Helvetica">the code used to compile with the older ifort 9.0 and mkl 8.0.2 (until</font></p> <p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="3" style="font: 12.0px Helvetica">we updated). I tried also with the latest version of the compiler</font></p> <p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="3" style="font: 12.0px Helvetica">(10.1.015) and I got the same errors, even without optimization flag.</font></p> <p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="3" style="font: 12.0px Helvetica">May it be the mpich lib? (but the test program for that library is</font></p> <p style="margin: 0.0px 0.0px 0.0px 0.0px"><font face="Helvetica" size="3" style="font: 12.0px Helvetica">compiling and running correctly)</font></p> </blockquote></div><br></div></body></html>