Task 38680302

Name test_292-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND3097_0
Workunit 31622028
Created 26 Oct 2026, 23:29:38 UTC
Sent 26 Oct 2026, 23:29:52 UTC
Report deadline 31 Oct 2026, 23:29:52 UTC
Received 27 Oct 2026, 0:02:19 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 646979
Run time 16 min 24 sec
CPU time 13 min 50 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 83,070.51 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 765.02 MB
Peak swap size 10.18 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:46:17 (16764): wrapper (7.9.26016): starting
08:46:17 (16764): 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
08:46:18 (16764): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:46:18 (16764): 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 'C:\ProgramData\BOINC\slots\22\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 'C:\ProgramData\BOINC\slots\22\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: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
09:01:53 (16764): C:/Windows/system32/cmd.exe exited; CPU time 830.718750
09:01:53 (16764): called boinc_finish(0)
0 bytes in 0 Free Blocks.
456 bytes in 8 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: 18474373 bytes.
Dumping objects ->
{3835586} normal block at 0x0000025213BAC2D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835575} normal block at 0x0000025213BACB90, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835564} normal block at 0x0000025211AF4F40, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835553} normal block at 0x0000025211AF5090, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835542} normal block at 0x0000025211AF5020, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835511} normal block at 0x0000025213BF3930, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835500} normal block at 0x0000025213C0C090, 100 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835497} normal block at 0x0000025211AF0500, 8 bytes long.
 Data: <  &#172; R   > 00 00 AC 11 52 02 00 00 
{3834771} normal block at 0x0000025213C0D170, 100 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3834061} normal block at 0x0000025211AF03C0, 8 bytes long.
 Data: < 5&#197; R   > 00 35 C5 13 52 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000025211AEE260, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000025211AE63B0, 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 0x0000025211AF6A30, 16 bytes long.
 Data: <8Z&#175; R           > 38 5A AF 11 52 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000025211AF5FE0, 16 bytes long.
 Data: < Z&#175; R           > 10 5A AF 11 52 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000025211AEF360, 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 0x0000025211AF61C0, 16 bytes long.
 Data: < Y&#175; R           > E8 59 AF 11 52 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000025211AF6670, 16 bytes long.
 Data: <&#192;Y&#175; R           > C0 59 AF 11 52 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000025211AF5F90, 16 bytes long.
 Data: < Y&#175; R           > 98 59 AF 11 52 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000025211AF69E0, 16 bytes long.
 Data: <pY&#175; R           > 70 59 AF 11 52 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000025211AF51E0, 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 0x0000025211AF5CC0, 16 bytes long.
 Data: <h &#173; R           > 68 EC AD 11 52 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000025211AEF300, 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 0x0000025211AF6080, 16 bytes long.
 Data: <@ &#173; R           > 40 EC AD 11 52 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000025211AF6A80, 16 bytes long.
 Data: <  &#173; R           > 18 EC AD 11 52 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000025211AF63A0, 16 bytes long.
 Data: <  &#173; R           > F0 EB AD 11 52 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000025211AF65D0, 16 bytes long.
 Data: <&#200; &#173; R           > C8 EB AD 11 52 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000025211AF5E50, 16 bytes long.
 Data: <  &#173; R           > A0 EB AD 11 52 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000025211AF6440, 16 bytes long.
 Data: <x &#173; R           > 78 EB AD 11 52 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000025211AEECA0, 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 0x0000025211AF5C70, 16 bytes long.
 Data: <P &#173; R           > 50 EB AD 11 52 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000025211ADEB50, 320 bytes long.
 Data: <p\&#175; R     &#174; R   > 70 5C AF 11 52 02 00 00 A0 EC AE 11 52 02 00 00 
{277} normal block at 0x0000025211AF5F40, 16 bytes long.
 Data: <PY&#175; R           > 50 59 AF 11 52 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000025211AF6620, 16 bytes long.
 Data: <(Y&#175; R           > 28 59 AF 11 52 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000025211AEF000, 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 0x0000025211AF5D10, 16 bytes long.
 Data: < Y&#175; R           > 00 59 AF 11 52 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000025211AEF8A0, 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 0x0000025211AF6120, 16 bytes long.
 Data: <HX&#175; R           > 48 58 AF 11 52 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000025211AF6850, 16 bytes long.
 Data: < X&#175; R           > 20 58 AF 11 52 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000025211AF6580, 16 bytes long.
 Data: < W&#175; R           > F8 57 AF 11 52 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000025211AF6170, 16 bytes long.
 Data: <&#208;W&#175; R           > D0 57 AF 11 52 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000025211AF6350, 16 bytes long.
 Data: <&#168;W&#175; R           > A8 57 AF 11 52 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000025211AF0B40, 16 bytes long.
 Data: < W&#175; R           > 80 57 AF 11 52 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000025211AF0AF0, 16 bytes long.
 Data: <pQ&#175; R           > 70 51 AF 11 52 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000025211AF5170, 40 bytes long.
 Data: <  &#175; R   09&#191; R   > F0 0A AF 11 52 02 00 00 30 39 BF 13 52 02 00 00 
{263} normal block at 0x0000025211AF0780, 16 bytes long.
 Data: <`W&#175; R           > 60 57 AF 11 52 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000025211AF00A0, 16 bytes long.
 Data: <8W&#175; R           > 38 57 AF 11 52 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000025211AEF720, 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 0x0000025211AF0AA0, 16 bytes long.
 Data: < W&#175; R           > 10 57 AF 11 52 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000025211AF5710, 992 bytes long.
 Data: <  &#175; R     &#174; R   > A0 0A AF 11 52 02 00 00 20 F7 AE 11 52 02 00 00 
{95} normal block at 0x0000025211AEF0C0, 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 0x0000025211AF0190, 16 bytes long.
 Data: <  &#174; R           > 00 9F AE 11 52 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000025211AE9F00, 40 bytes long.
 Data: <  &#175; R   &#192; &#174; R   > 90 01 AF 11 52 02 00 00 C0 F0 AE 11 52 02 00 00 
{70} normal block at 0x0000025211AF05F0, 16 bytes long.
 Data: <                > 80 EA E9 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000025211AF02D0, 16 bytes long.
 Data: <@               > 40 E9 E9 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000025211AEFDD0, 16 bytes long.
 Data: < W              > F8 57 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000025211AF0640, 16 bytes long.
 Data: <&#216;W              > D8 57 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000025211AF0820, 16 bytes long.
 Data: <P               > 50 04 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000025211AF0280, 16 bytes long.
 Data: <0               > 30 04 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000025211AF0370, 16 bytes long.
 Data: <                > E0 02 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000025211AEFE70, 16 bytes long.
 Data: <                > 10 04 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000025211AEFD80, 16 bytes long.
 Data: <p               > 70 04 E6 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000025211AF0140, 16 bytes long.
 Data: < &#192;              > 18 C0 E4 F7 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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