[Smeagol-discuss] smeagol running with errors in ZSYMM/ZGEMM/ZSYTRF/ZSYTRI

[zx3 at rice.edu]

Deal all:
     I am using smeagol to calculate the conductance of aromatic chain  
(k-sampling in transport direction for lead only). The program  
continues to run while give these errors, could you give me suggestion  
on this? Input files and band structure of the lead are attached.  
Thanks.

-----------------------------------------------------------------------------
siesta: System type = slab

* Maximum dynamic memory allocated =     2 MB

siesta:                 ===============================
SMEAGOL                 Bias step =    0, V =  0.000 Ry
                             Begin CG move =      0
                         ===============================

InitMesh: MESH =   108 x   108 x   108 =     1259712
InitMesh: Mesh cutoff (required, used) =   300.000   322.366 Ry

* Maximum dynamic memory allocated =    74 MB
gensvd: Leads decimation
gensvd: Dim of H1 and S1 :     36
gensvd: Rank of H1:             8
gensvd: Rank of (H1,S1):       28
gensvd: Decimated states:       0
gensvd: Decimation from the left
gensvd: Leads decimation
gensvd: Dim of H1 and S1 :     36
gensvd: Rank of H1:             8
gensvd: Rank of (H1,S1):       28
gensvd: Decimated states:       0
gensvd: Decimation from the left

...

MKL ERROR : Parameter  7  was incorrect on entry to  ZSYMM
MKL ERROR : Parameter  9  was incorrect on entry to  ZSYMM
MKL ERROR : Parameter  8  was incorrect on entry to  ZGEMM
MKL ERROR : Parameter  9  was incorrect on entry to  ZSYMM
MKL ERROR : Parameter  8  was incorrect on entry to  ZGEMM
MKL ERROR : Parameter  4  was incorrect on entry to  ZSYTRF
MKL ERROR : Parameter  4  was incorrect on entry to  ZSYTRI
MKL ERROR : Parameter  7  was incorrect on entry to  ZSYMM
MKL ERROR : Parameter  7  was incorrect on entry to  ZSYMM
...
-----------------------------------------------------------------------------
Best,
Zhiping
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