Task 38688397

Name test_451-GPUGRID_TEST_ATM_40STEP_20261023-32-40-RND7452_0
Workunit 31629750
Created 28 Oct 2026, 13:39:33 UTC
Sent 28 Oct 2026, 13:39:34 UTC
Report deadline 2 Nov 2026, 13:39:34 UTC
Received 28 Oct 2026, 14:09:02 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652843
Run time 27 min 1 sec
CPU time 20 min 44 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 22,198.82 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 743.50 MB
Peak swap size 12.93 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:42:26 (3080): wrapper (7.9.26016): starting
08:42:26 (3080): 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
08:42:27 (3080): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:42:27 (3080): 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\0\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\0\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
09:08:42 (3080): C:/Windows/system32/cmd.exe exited; CPU time 1244.531250
09:08:42 (3080): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 25373603 bytes.
Dumping objects ->
{3835550} normal block at 0x00000245C6065A10, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835539} normal block at 0x00000245C6065930, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835528} normal block at 0x00000245C6065CB0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835517} normal block at 0x00000245C60658C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835506} normal block at 0x00000245C6065620, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835475} normal block at 0x00000245C7DACD60, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835464} normal block at 0x00000245C7E0DD60, 102 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) : {3835461} normal block at 0x00000245C605E3D0, 8 bytes long.
 Data: <  S&#198;E   > 00 00 53 C6 45 02 00 00 
{3834683} normal block at 0x00000245C7E0DAA0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x00000245C605DD40, 8 bytes long.
 Data: < S&#229;&#199;E   > 90 53 E5 C7 45 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000245C605FD10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000245C6055420, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x00000245C6064220, 16 bytes long.
 Data: <hT &#198;E           > 68 54 06 C6 45 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000245C6065080, 16 bytes long.
 Data: <@T &#198;E           > 40 54 06 C6 45 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000245C605F5E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x00000245C6064F40, 16 bytes long.
 Data: < T &#198;E           > 18 54 06 C6 45 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000245C60641D0, 16 bytes long.
 Data: <&#240;S &#198;E           > F0 53 06 C6 45 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000245C6064860, 16 bytes long.
 Data: <&#200;S &#198;E           > C8 53 06 C6 45 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000245C6064900, 16 bytes long.
 Data: <&#160;S &#198;E           > A0 53 06 C6 45 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000245C60655B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x00000245C60647C0, 16 bytes long.
 Data: <8&#134; &#198;E           > 38 86 05 C6 45 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000245C605FA00, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x00000245C6064950, 16 bytes long.
 Data: < &#134; &#198;E           > 10 86 05 C6 45 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000245C6064180, 16 bytes long.
 Data: <&#232;&#133; &#198;E           > E8 85 05 C6 45 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000245C6064CC0, 16 bytes long.
 Data: <&#192;&#133; &#198;E           > C0 85 05 C6 45 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000245C6064680, 16 bytes long.
 Data: < &#133; &#198;E           > 98 85 05 C6 45 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000245C6064A90, 16 bytes long.
 Data: <p&#133; &#198;E           > 70 85 05 C6 45 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000245C6064C20, 16 bytes long.
 Data: <H&#133; &#198;E           > 48 85 05 C6 45 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000245C605F580, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x00000245C60645E0, 16 bytes long.
 Data: < &#133; &#198;E           > 20 85 05 C6 45 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000245C6058520, 320 bytes long.
 Data: <&#224;E &#198;E    &#245; &#198;E   > E0 45 06 C6 45 02 00 00 80 F5 05 C6 45 02 00 00 
{273} normal block at 0x00000245C60644F0, 16 bytes long.
 Data: < S &#198;E           > 80 53 06 C6 45 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000245C6064720, 16 bytes long.
 Data: <XS &#198;E           > 58 53 06 C6 45 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000245C605EC80, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x00000245C6064400, 16 bytes long.
 Data: <0S &#198;E           > 30 53 06 C6 45 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000245C605F820, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x00000245C6064BD0, 16 bytes long.
 Data: <xR &#198;E           > 78 52 06 C6 45 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000245C6064FE0, 16 bytes long.
 Data: <PR &#198;E           > 50 52 06 C6 45 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000245C6064450, 16 bytes long.
 Data: <(R &#198;E           > 28 52 06 C6 45 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000245C6064540, 16 bytes long.
 Data: < R &#198;E           > 00 52 06 C6 45 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000245C6064770, 16 bytes long.
 Data: <&#216;Q &#198;E           > D8 51 06 C6 45 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000245C6064C70, 16 bytes long.
 Data: <&#176;Q &#198;E           > B0 51 06 C6 45 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000245C6064810, 16 bytes long.
 Data: < &#227; &#198;E           > 20 E3 04 C6 45 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000245C604E320, 40 bytes long.
 Data: < H &#198;E   `&#205;&#218;&#199;E   > 10 48 06 C6 45 02 00 00 60 CD DA C7 45 02 00 00 
{259} normal block at 0x00000245C6064B80, 16 bytes long.
 Data: < Q &#198;E           > 90 51 06 C6 45 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000245C60648B0, 16 bytes long.
 Data: <hQ &#198;E           > 68 51 06 C6 45 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000245C605F280, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x00000245C60650D0, 16 bytes long.
 Data: <@Q &#198;E           > 40 51 06 C6 45 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000245C6065140, 992 bytes long.
 Data: <&#208;P &#198;E    &#242; &#198;E   > D0 50 06 C6 45 02 00 00 80 F2 05 C6 45 02 00 00 
{91} normal block at 0x00000245C605F400, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x00000245C605E650, 16 bytes long.
 Data: <0&#220; &#198;E           > 30 DC 04 C6 45 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x00000245C604DC30, 40 bytes long.
 Data: <P&#230; &#198;E    &#244; &#198;E   > 50 E6 05 C6 45 02 00 00 00 F4 05 C6 45 02 00 00 
{68} normal block at 0x00000245C605E7E0, 16 bytes long.
 Data: < &#234;2&#181;&#246;           > 80 EA 32 B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000245C605E600, 16 bytes long.
 Data: <@&#233;2&#181;&#246;           > 40 E9 32 B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000245C605E380, 16 bytes long.
 Data: <&#248;W/&#181;&#246;           > F8 57 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000245C605E740, 16 bytes long.
 Data: <&#216;W/&#181;&#246;           > D8 57 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000245C605DCF0, 16 bytes long.
 Data: <P /&#181;&#246;           > 50 04 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000245C605E2E0, 16 bytes long.
 Data: <0 /&#181;&#246;           > 30 04 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000245C605E830, 16 bytes long.
 Data: <&#224; /&#181;&#246;           > E0 02 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000245C605E100, 16 bytes long.
 Data: <  /&#181;&#246;           > 10 04 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000245C605E4C0, 16 bytes long.
 Data: <p /&#181;&#246;           > 70 04 2F B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000245C605DF20, 16 bytes long.
 Data: < &#192;-&#181;&#246;           > 18 C0 2D B5 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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