Task 38672369

Name test_537-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND8487_0
Workunit 31614517
Created 25 Oct 2026, 23:13:03 UTC
Sent 25 Oct 2026, 23:13:06 UTC
Report deadline 30 Oct 2026, 23:13:06 UTC
Received 26 Oct 2026, 0:56:52 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 654625
Run time 2 min 17 sec
CPU time 1 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 21,553.70 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 51.71 MB
Peak swap size 2.29 GB
Peak disk usage 4.07 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
00:54:37 (27604): wrapper (7.9.26016): starting
00:54:37 (27604): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
00:54:41 (27604): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:54:41 (27604): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
  WARNING: The script pyaml.exe is installed in 'D:\Applications\BOINC\slots\8\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
  WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'D:\Applications\BOINC\slots\8\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Traceback (most recent call last):
  File "<frozen runpy>", line 198, in _run_module_as_main
  File "<frozen runpy>", line 88, in _run_code
  File "D:\Applications\BOINC\slots\8\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "D:\Applications\BOINC\slots\8\Lib\site-packages\atom_openmm\rbfe_production.py", line 10, in rbfe_production
    from atom_openmm.openmm_async_re import openmm_job_RBFE
  File "D:\Applications\BOINC\slots\8\Lib\site-packages\atom_openmm\openmm_async_re.py", line 11, in <module>
    from openmm.app import *
  File "D:\Applications\BOINC\slots\8\Lib\site-packages\openmm\app\__init__.py", line 23, in <module>
    from .amberprmtopfile import AmberPrmtopFile, HCT, OBC1, OBC2, GBn, GBn2
  File "D:\Applications\BOINC\slots\8\Lib\site-packages\openmm\app\amberprmtopfile.py", line 38, in <module>
    from openmm.app.internal import amber_file_parser
MemoryError
00:55:16 (27604): C:/Windows/system32/cmd.exe exited; CPU time 1.453125
00:55:16 (27604): app exit status: 0x16
00:55:16 (27604): called boinc_finish(195)
0 bytes in 0 Free Blocks.
256 bytes in 6 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 752883 bytes.
Dumping objects ->
{3835581} normal block at 0x000002A905804E40, 48 bytes long.
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{3835570} normal block at 0x000002A905804D60, 48 bytes long.
 Data: <HOME=D:\Applicat> 48 4F 4D 45 3D 44 3A 5C 41 70 70 6C 69 63 61 74 
{3835559} normal block at 0x000002A905805230, 48 bytes long.
 Data: <TMP=D:\Applicati> 54 4D 50 3D 44 3A 5C 41 70 70 6C 69 63 61 74 69 
{3835548} normal block at 0x000002A9058051C0, 48 bytes long.
 Data: <TEMP=D:\Applicat> 54 45 4D 50 3D 44 3A 5C 41 70 70 6C 69 63 61 74 
{3835537} normal block at 0x000002A905805000, 48 bytes long.
 Data: <TMPDIR=D:\Applic> 54 4D 50 44 49 52 3D 44 3A 5C 41 70 70 6C 69 63 
{3835506} normal block at 0x000002A90758D610, 64 bytes long.
 Data: <PATH=D:\Applicat> 50 41 54 48 3D 44 3A 5C 41 70 70 6C 69 63 61 74 
..\api\boinc_api.cpp(309) : {3835493} normal block at 0x000002A905801410, 8 bytes long.
 Data: <  y &#169;   > 00 00 79 05 A9 02 00 00 
{3833963} normal block at 0x000002A905800BA0, 8 bytes long.
 Data: <Ph^ &#169;   > 50 68 5E 07 A9 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000002A905808920, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002A9057F6F90, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x000002A905805C40, 16 bytes long.
 Data: <Xl  &#169;           > 58 6C 80 05 A9 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002A905806640, 16 bytes long.
 Data: <0l  &#169;           > 30 6C 80 05 A9 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002A9057FEC10, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x000002A9058064B0, 16 bytes long.
 Data: < l  &#169;           > 08 6C 80 05 A9 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002A905805BA0, 16 bytes long.
 Data: <&#224;k  &#169;           > E0 6B 80 05 A9 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002A905806780, 16 bytes long.
 Data: <&#184;k  &#169;           > B8 6B 80 05 A9 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002A905806140, 16 bytes long.
 Data: < k  &#169;           > 90 6B 80 05 A9 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002A905805310, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x000002A905806690, 16 bytes long.
 Data: <&#200;   &#169;           > C8 00 7F 05 A9 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002A9057FE3D0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x000002A9058060A0, 16 bytes long.
 Data: <&#160;   &#169;           > A0 00 7F 05 A9 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002A9058065F0, 16 bytes long.
 Data: <x   &#169;           > 78 00 7F 05 A9 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002A9058061E0, 16 bytes long.
 Data: <P   &#169;           > 50 00 7F 05 A9 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002A905806410, 16 bytes long.
 Data: <(   &#169;           > 28 00 7F 05 A9 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002A9058068C0, 16 bytes long.
 Data: <    &#169;           > 00 00 7F 05 A9 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002A905806000, 16 bytes long.
 Data: <&#216;&#255;~ &#169;           > D8 FF 7E 05 A9 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002A9057FE250, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x000002A905806190, 16 bytes long.
 Data: <&#176;&#255;~ &#169;           > B0 FF 7E 05 A9 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002A9057EFFB0, 320 bytes long.
 Data: < a  &#169;   P&#226;  &#169;   > 90 61 80 05 A9 02 00 00 50 E2 7F 05 A9 02 00 00 
{277} normal block at 0x000002A9058063C0, 16 bytes long.
 Data: <pk  &#169;           > 70 6B 80 05 A9 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002A905805D80, 16 bytes long.
 Data: <Hk  &#169;           > 48 6B 80 05 A9 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002A9057FE370, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x000002A905805F10, 16 bytes long.
 Data: < k  &#169;           > 20 6B 80 05 A9 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002A9057FEA30, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x000002A905805E70, 16 bytes long.
 Data: <hj  &#169;           > 68 6A 80 05 A9 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002A905806550, 16 bytes long.
 Data: <@j  &#169;           > 40 6A 80 05 A9 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002A905806500, 16 bytes long.
 Data: < j  &#169;           > 18 6A 80 05 A9 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002A905806870, 16 bytes long.
 Data: <&#240;i  &#169;           > F0 69 80 05 A9 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002A905805BF0, 16 bytes long.
 Data: <&#200;i  &#169;           > C8 69 80 05 A9 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002A905806370, 16 bytes long.
 Data: <&#160;i  &#169;           > A0 69 80 05 A9 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002A905806820, 16 bytes long.
 Data: <&#208;M  &#169;           > D0 4D 80 05 A9 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002A905804DD0, 40 bytes long.
 Data: < h  &#169;    &#214;X &#169;   > 20 68 80 05 A9 02 00 00 10 D6 58 07 A9 02 00 00 
{263} normal block at 0x000002A905805E20, 16 bytes long.
 Data: < i  &#169;           > 80 69 80 05 A9 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002A905805B50, 16 bytes long.
 Data: <Xi  &#169;           > 58 69 80 05 A9 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002A9057FEC70, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x000002A905805970, 16 bytes long.
 Data: <0i  &#169;           > 30 69 80 05 A9 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002A905806930, 992 bytes long.
 Data: <pY  &#169;   p&#236;  &#169;   > 70 59 80 05 A9 02 00 00 70 EC 7F 05 A9 02 00 00 
{95} normal block at 0x000002A9057FE730, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000002A905801230, 16 bytes long.
 Data: <    &#169;           > 20 03 7F 05 A9 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000002A9057F0320, 40 bytes long.
 Data: <0   &#169;   0&#231;  &#169;   > 30 12 80 05 A9 02 00 00 30 E7 7F 05 A9 02 00 00 
{72} normal block at 0x000002A9058018C0, 16 bytes long.
 Data: < &#234;&#162;?&#247;           > 80 EA A2 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002A905800C40, 16 bytes long.
 Data: <@&#233;&#162;?&#247;           > 40 E9 A2 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002A9058013C0, 16 bytes long.
 Data: <&#248;W&#159;?&#247;           > F8 57 9F 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002A905800F60, 16 bytes long.
 Data: <&#216;W&#159;?&#247;           > D8 57 9F 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002A905801870, 16 bytes long.
 Data: <P &#159;?&#247;           > 50 04 9F 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002A905800B00, 16 bytes long.
 Data: <0 &#159;?&#247;           > 30 04 9F 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002A905800E70, 16 bytes long.
 Data: <&#224; &#159;?&#247;           > E0 02 9F 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002A905800B50, 16 bytes long.
 Data: <  &#159;?&#247;           > 10 04 9F 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002A905801460, 16 bytes long.
 Data: <p &#159;?&#247;           > 70 04 9F 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002A9058009C0, 16 bytes long.
 Data: < &#192; ?&#247;           > 18 C0 9D 3F F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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