I had a similar problem and solved it by adding<div><br></div><div><div>hfx_screening_methods<span class="GRcorrect" id="GRmark_c8358a9425adac59da1a4c06ad73994eaa116772_.:0" grphrase="c8358a9425adac59da1a4c06ad73994eaa116772" grtype="null">.</span>o: hfx_screening_methods<span class="GRcorrect" id="GRmark_c8358a9425adac59da1a4c06ad73994eaa116772_.:1" grphrase="c8358a9425adac59da1a4c06ad73994eaa116772" grtype="null">.</span>F</div><div>        $<span class="GRcorrect" id="GRmark_521989594e1b8e9c1228d57c023f145daa7773f2_(:0" grphrase="521989594e1b8e9c1228d57c023f145daa7773f2" grtype="null">(</span>FC) -c $<span class="GRcorrect" id="GRmark_521989594e1b8e9c1228d57c023f145daa7773f2_(:1" grphrase="521989594e1b8e9c1228d57c023f145daa7773f2" grtype="null">(</span>FCFLAGS2) $<</div><div><br></div><div><span class="GRcorrect" id="GRmark_50fae3895a433ed28c05d728ae8ef00a697e6e6b_to:0" grphrase="50fae3895a433ed28c05d728ae8ef00a697e6e6b" grtype="null">to</span> your arch file where</div><div><br></div><div>FCFLAGS2 = $<span class="GRcorrect" id="GRmark_9b23a95034c94de3d3a1a04cd7042977395ca7ee_(:0" grphrase="9b23a95034c94de3d3a1a04cd7042977395ca7ee" grtype="null">(</span>DFLAGS) -O0 -heap-arrays 64 -<span class="GRcorrect" id="GRmark_9b23a95034c94de3d3a1a04cd7042977395ca7ee_fpp:1" grphrase="9b23a95034c94de3d3a1a04cd7042977395ca7ee" grtype="null">fpp</span> -free</div><div><br></div><div>Hope it works.</div><div>Regards,</div><div>Roger</div><div><br></div><br>On Sunday, September 16, 2012 12:00:22 AM UTC+2, Zhiping wrote<span class="GRcorrect" id="GRmark_32a2f90b8688cf1f8fa282691ee4e17de5a46374_::0" grphrase="32a2f90b8688cf1f8fa282691ee4e17de5a46374" grtype="null">:</span><blockquote class="gmail_quote" style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;padding-left: 1ex;">I solved this by change '-O3' into '-O2' in FCFLAGS.<div><span class="GRcorrect" id="GRmark_cb7660612f20221afb686a96ca33b8bac1abd12b_it:0" grphrase="cb7660612f20221afb686a96ca33b8bac1abd12b" grtype="null">it</span> works now for QS benchmarks with 256 water molecules.</div><div><span class="GRcorrect" id="GRmark_1da2476fb4804b9e9efea90017e55eafef3d190f_however:0" grphrase="1da2476fb4804b9e9efea90017e55eafef3d190f" grtype="null">however</span>, it still fails with the H2O-hybrid-b3lyp and some other hybrid tests, with error information 'Segmentation fault'</div><div><span class="GRcorrect" id="GRmark_ad9a82bf17eab42ae9f608fee5dbbd3231cc27cd_any:0" grphrase="ad9a82bf17eab42ae9f608fee5dbbd3231cc27cd" grtype="null">any</span> suggestions? <span class="GRcorrect" id="GRmark_a6f59e1a0b4bbe4a206a7193088331aeb8859383_thank:0" grphrase="a6f59e1a0b4bbe4a206a7193088331aeb8859383" grtype="null">thank</span> you.</div><div><span class="GRcorrect" id="GRmark_87db7304a1111a9da0abd7fa53a520740714600b_Zhiping:0" grphrase="87db7304a1111a9da0abd7fa53a520740714600b" grtype="null">Zhiping</span><br><br></div></blockquote></div>