Memory error with HF based SAPT

Questions
#1

I’m trying to do an SAPT calculation on a system with Selenium atoms using an ECP. I’m running into the following error:

 Q-Chem fatal error occurred in module 0, line  456:

 MaxKL too small for Path 2. Use more memory.


 Q-Chem fatal error occurred in module forms2/ShlPairs.C, line 54:

 In ~ShlPairs:  s2Ints != 0.


 Please submit a crash report at q-chem.com/reporter

I’m getting this despite the following:

 Currently using 0.00 Mb of memory with 256000.00 Mb still available
 ==============================================================
           Memory Requirements for SAPT (MEM_TOTAL)
   IN CORE 1 (fastest)                            182.58  MB
   IN CORE 2                                      100.14  MB
   DISK                                           16.70  MB
 ===============================================================

I.e., my workstation should have enough memory.

The following lines are in my input:

$rem
jobtype xsapt
method hf
basis gen
ecp gen
mem_total 256000
scf_convergence 5
thresh 12
max_scf_cycles 99
scf_final_print 1
basis_lin_dep_thresh 5
$end

$basis
Se
aug-cc-pVTZ-PP
****
H
aug-cc-pVTZ
****
$end
$ecp
SE     0
SE-ECP     4     10
g potential
1
2      1.0000000              0.0000000
s-g potential
2
2     30.0469900            370.1228880
2      6.9186880             10.4561680
p-g potential
4
2     45.7730140             99.1350590
2     45.2946420            198.2924830
2     20.7396480             28.3387470
2     20.0286010             56.7497470
d-g potential
6
2     50.9417680            -18.5265560
2     49.5947400            -28.3349210
2     16.3235220             -0.6960890
2     14.4651960             -1.1678910
2      3.7753300              0.0414430
2      3.5019530              0.2355830
f-g potential
2
2     11.9508670             -0.7662620
2     17.8107800             -2.1027420
****
$end

$sapt
exchange s_inverse
basis projected
cphf
$end

Any help would be much appreciated!

#2

Try setting MEM_STATIC=8000 (that’s probably way too much). If that doesn’t work then please provide a full input file including the $molecule.