mst2 is interrupted in Tutorial CuZn/BCC, but B2 and Supercell work fine

[ysj7323]

I compiled MST/bin/mst2 (with arch/bolt_intel_O3) and no error warning was reported during compilation. Both B2 and Supercell of CuZn Tutorials can work. However, when the random alloy of the CuZn-BCC directory is calculated, the calculation is interrupted and an error occurs as:

mpirun -np 4 /home/zhouq/work/Must/MST/bin/mst2 vout & [1] 4777 [zhouq@y01]$ glibc detected /home/zhouq/work/Must/MST/bin/mst2: malloc(): memory corruption: 0x000000000d51fe50 glibc detected /home/zhouq/work/Must/MST/bin/mst2: malloc(): memory corruption: 0x000000000dea26b0 glibc detected /home/zhouq/work/Must/MST/bin/mst2: malloc(): memory corruption: 0x000000000d51fe50 glibc detected /home/zhouq/work/Must/MST/bin/mst2: malloc(): memory corruption: 0x000000000dea26b0 glibc detected /home/zhouq/work/Must/MST/bin/mst2: malloc(): memory corruption: 0x000000000dea26b0 glibc detected /home/zhouq/work/Must/MST/bin/mst2: malloc(): memory corruption: 0x000000000d2f1e30 glibc detected /home/zhouq/work/Must/MST/bin/mst2: malloc(): memory corruption: 0x000000000d2f1e30 glibc detected /home/zhouq/work/Must/MST/bin/mst2: malloc(): memory corruption: 0x000000000ea75e50 glibc detected /home/zhouq/work/Must/MST/bin/mst2: malloc(): memory corruption: 0x000000000ea75e50

Also, the last lines of the o_n00000_CuZn file:

                         **********************
                         * Output from mufind *
                         **********************

At Old Fermi Energy GLOBAL VP Int[n(e)] per Atom = 11.511893519396 GLOBAL (Val-Int[n(e)]) per Site = -0.011893519396 Fermi Energy DOS per Site = 3.613883712604 Specific Heat Coefficient per Site = 0.000000000477 Magnetic Susceptibility per Site = 0.000000000000 Num Valence Electrons per Atom = 11.500000000000

New Fermi energy = 0.638490358364 Change in Fermi energy = -0.003291063117

After mufind, the integrated DOS are: id = 1, ia = 1, is = 1, MS+SS DOS_mt = 0.10334066D+02, MS+SS DOS_ws = 0.11176943D+02 id = 1, ia = 2, is = 1, MS+SS DOS_mt = 0.11008870D+02, MS+SS DOS_ws = 0.11823057D+02

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Did I set the compilation options incorrectly? thx

[wangy2014]

Thank you for reporting the problem. There appears to be a bug in the latest code that has caused memory leak during the KKR-CPA calculation. I will look into this issue and will let you know once the bug is fixed.

[wangy2014]

Thank you again for reporting the run-time error. The problem is now fixed, Please download and use the latest code release.