Task 38681496

Name test_836-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND7631_0
Workunit 31623160
Created 27 Oct 2026, 4:12:57 UTC
Sent 27 Oct 2026, 4:13:07 UTC
Report deadline 1 Nov 2026, 4:13:07 UTC
Received 27 Oct 2026, 5:19:03 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 585486
Run time 32 min 17 sec
CPU time 29 min 38 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 21,377.06 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 697.14 MB
Peak swap size 6.90 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:47:16 (27356): wrapper (7.9.26016): starting
23:47:16 (27356): 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
23:47:18 (27356): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:47:18 (27356): 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\14\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\14\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
00:18:36 (27356): C:/Windows/system32/cmd.exe exited; CPU time 1778.000000
00:18:36 (27356): called boinc_finish(0)
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: 41614263 bytes.
Dumping objects ->
{3835265} normal block at 0x0000022ACBF6F4A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835254} normal block at 0x0000022ACA2E6E20, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835243} normal block at 0x0000022ACA2E6D40, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835232} normal block at 0x0000022ACA2E6CD0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835221} normal block at 0x0000022ACA2E6C60, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835190} normal block at 0x0000022ACBFBD010, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835177} normal block at 0x0000022ACA2E0880, 8 bytes long.
 Data: <  )&#202;*   > 00 00 29 CA 2A 02 00 00 
{3833963} normal block at 0x0000022ACA2E0E20, 8 bytes long.
 Data: <0b &#204;*   > 30 62 01 CC 2A 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000022ACA2E31A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000022ACA2D8750, 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 0x0000022ACA2E7840, 16 bytes long.
 Data: <&#216;&#133;.&#202;*           > D8 85 2E CA 2A 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000022ACA2E8100, 16 bytes long.
 Data: <&#176;&#133;.&#202;*           > B0 85 2E CA 2A 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000022ACA2E1CB0, 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 0x0000022ACA2E7B60, 16 bytes long.
 Data: < &#133;.&#202;*           > 88 85 2E CA 2A 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000022ACA2E7520, 16 bytes long.
 Data: <`&#133;.&#202;*           > 60 85 2E CA 2A 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000022ACA2E7980, 16 bytes long.
 Data: <8&#133;.&#202;*           > 38 85 2E CA 2A 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000022ACA2E81F0, 16 bytes long.
 Data: < &#133;.&#202;*           > 10 85 2E CA 2A 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000022ACA2E6DB0, 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 0x0000022ACA2E7390, 16 bytes long.
 Data: <&#184; .&#202;*           > B8 00 2E CA 2A 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000022ACA2E19B0, 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 0x0000022ACA2E77F0, 16 bytes long.
 Data: <  .&#202;*           > 90 00 2E CA 2A 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000022ACA2E7A20, 16 bytes long.
 Data: <h .&#202;*           > 68 00 2E CA 2A 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022ACA2E7660, 16 bytes long.
 Data: <@ .&#202;*           > 40 00 2E CA 2A 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022ACA2E79D0, 16 bytes long.
 Data: <  .&#202;*           > 18 00 2E CA 2A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022ACA2E7930, 16 bytes long.
 Data: <&#240;&#255;-&#202;*           > F0 FF 2D CA 2A 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022ACA2E8060, 16 bytes long.
 Data: <&#200;&#255;-&#202;*           > C8 FF 2D CA 2A 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000022ACA2E2310, 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 0x0000022ACA2E7AC0, 16 bytes long.
 Data: <&#160;&#255;-&#202;*           > A0 FF 2D CA 2A 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000022ACA2DFFA0, 320 bytes long.
 Data: <&#192;z.&#202;*    #.&#202;*   > C0 7A 2E CA 2A 02 00 00 10 23 2E CA 2A 02 00 00 
{277} normal block at 0x0000022ACA2E7ED0, 16 bytes long.
 Data: <&#240;&#132;.&#202;*           > F0 84 2E CA 2A 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000022ACA2E74D0, 16 bytes long.
 Data: <&#200;&#132;.&#202;*           > C8 84 2E CA 2A 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000022ACA2E18F0, 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 0x0000022ACA2E7A70, 16 bytes long.
 Data: <&#160;&#132;.&#202;*           > A0 84 2E CA 2A 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000022ACA2E1AD0, 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 0x0000022ACA2E7F70, 16 bytes long.
 Data: <&#232;&#131;.&#202;*           > E8 83 2E CA 2A 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000022ACA2E7CA0, 16 bytes long.
 Data: <&#192;&#131;.&#202;*           > C0 83 2E CA 2A 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022ACA2E7340, 16 bytes long.
 Data: < &#131;.&#202;*           > 98 83 2E CA 2A 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000022ACA2E7CF0, 16 bytes long.
 Data: <p&#131;.&#202;*           > 70 83 2E CA 2A 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022ACA2E7B10, 16 bytes long.
 Data: <H&#131;.&#202;*           > 48 83 2E CA 2A 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000022ACA2E7DE0, 16 bytes long.
 Data: < &#131;.&#202;*           > 20 83 2E CA 2A 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000022ACA2E7570, 16 bytes long.
 Data: <Pi.&#202;*           > 50 69 2E CA 2A 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000022ACA2E6950, 40 bytes long.
 Data: <pu.&#202;*    &#208;&#251;&#203;*   > 70 75 2E CA 2A 02 00 00 10 D0 FB CB 2A 02 00 00 
{263} normal block at 0x0000022ACA2E78E0, 16 bytes long.
 Data: < &#131;.&#202;*           > 00 83 2E CA 2A 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000022ACA2E7D40, 16 bytes long.
 Data: <&#216;&#130;.&#202;*           > D8 82 2E CA 2A 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000022ACA2E1950, 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 0x0000022ACA2E8240, 16 bytes long.
 Data: <&#176;&#130;.&#202;*           > B0 82 2E CA 2A 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000022ACA2E82B0, 992 bytes long.
 Data: <@&#130;.&#202;*   P .&#202;*   > 40 82 2E CA 2A 02 00 00 50 19 2E CA 2A 02 00 00 
{95} normal block at 0x0000022ACA2E1B30, 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 0x0000022ACA2E0650, 16 bytes long.
 Data: <&#240;&#229;,&#202;*           > F0 E5 2C CA 2A 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000022ACA2CE5F0, 40 bytes long.
 Data: <P .&#202;*   0 .&#202;*   > 50 06 2E CA 2A 02 00 00 30 1B 2E CA 2A 02 00 00 
{72} normal block at 0x0000022ACA2E0600, 16 bytes long.
 Data: < &#234;&#150;&#195;&#246;           > 80 EA 96 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000022ACA2E09C0, 16 bytes long.
 Data: <@&#233;&#150;&#195;&#246;           > 40 E9 96 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000022ACA2E0510, 16 bytes long.
 Data: <&#248;W&#147;&#195;&#246;           > F8 57 93 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000022ACA2E0BF0, 16 bytes long.
 Data: <&#216;W&#147;&#195;&#246;           > D8 57 93 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000022ACA2E0830, 16 bytes long.
 Data: <P &#147;&#195;&#246;           > 50 04 93 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000022ACA2E0BA0, 16 bytes long.
 Data: <0 &#147;&#195;&#246;           > 30 04 93 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000022ACA2E0B50, 16 bytes long.
 Data: <&#224; &#147;&#195;&#246;           > E0 02 93 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000022ACA2E1230, 16 bytes long.
 Data: <  &#147;&#195;&#246;           > 10 04 93 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000022ACA2E1370, 16 bytes long.
 Data: <p &#147;&#195;&#246;           > 70 04 93 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000022ACA2E0C90, 16 bytes long.
 Data: < &#192;&#145;&#195;&#246;           > 18 C0 91 C3 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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