Task 38685904

Name test_588-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND9358_0
Workunit 31627358
Created 27 Oct 2026, 23:34:49 UTC
Sent 27 Oct 2026, 23:34:54 UTC
Report deadline 1 Nov 2026, 23:34:54 UTC
Received 28 Oct 2026, 1:17:00 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 606795
Run time 1 hours 33 min 44 sec
CPU time 1 hours 33 min 44 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,741.16 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 690.45 MB
Peak swap size 5.35 GB
Peak disk usage 3.11 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:36:39 (57332): wrapper (7.9.26016): starting
17:36:39 (57332): 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
17:36:40 (57332): Library/usr/bin/tar.exe exited; CPU time 0.015625
17:36:40 (57332): 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\2\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\2\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
19:16:30 (57332): C:/Windows/system32/cmd.exe exited; CPU time 5624.406250
19:16:30 (57332): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 126299249 bytes.
Dumping objects ->
{3835232} normal block at 0x0000018806C4D070, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835221} normal block at 0x0000018805064F90, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835210} normal block at 0x0000018805064E40, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835199} normal block at 0x00000188050649E0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835188} normal block at 0x0000018805064AC0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835157} normal block at 0x0000018806C987A0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835146} normal block at 0x00000188050CA0B0, 140 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) : {3835143} normal block at 0x000001880505EC90, 8 bytes long.
 Data: <  ?     > 00 00 3F 05 88 01 00 00 
{3834543} normal block at 0x00000188050CAC10, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000001880505E9C0, 8 bytes long.
 Data: <`J&#210;     > 60 4A D2 06 88 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000018805060DA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000018805056AE0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x00000188050662D0, 16 bytes long.
 Data: <&#248;g              > F8 67 06 05 88 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000018805065970, 16 bytes long.
 Data: <&#208;g              > D0 67 06 05 88 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001880505FBB0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x0000018805065E70, 16 bytes long.
 Data: <&#168;g              > A8 67 06 05 88 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000018805065EC0, 16 bytes long.
 Data: < g              > 80 67 06 05 88 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000018805065E20, 16 bytes long.
 Data: <Xg              > 58 67 06 05 88 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000018805065BA0, 16 bytes long.
 Data: <0g              > 30 67 06 05 88 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000018805064C80, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x00000188050660A0, 16 bytes long.
 Data: <&#200;&#231;              > C8 E7 05 05 88 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000188050601B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x00000188050656A0, 16 bytes long.
 Data: <&#160;&#231;              > A0 E7 05 05 88 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000018805065920, 16 bytes long.
 Data: <x&#231;              > 78 E7 05 05 88 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000018805065AB0, 16 bytes long.
 Data: <P&#231;              > 50 E7 05 05 88 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000018805066280, 16 bytes long.
 Data: <(&#231;              > 28 E7 05 05 88 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000018805065F10, 16 bytes long.
 Data: < &#231;              > 00 E7 05 05 88 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000018805066410, 16 bytes long.
 Data: <&#216;&#230;              > D8 E6 05 05 88 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001880505FA30, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x0000018805065CE0, 16 bytes long.
 Data: <&#176;&#230;              > B0 E6 05 05 88 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001880505E6B0, 320 bytes long.
 Data: <&#224;\      0&#250;      > E0 5C 06 05 88 01 00 00 30 FA 05 05 88 01 00 00 
{276} normal block at 0x00000188050663C0, 16 bytes long.
 Data: < g              > 10 67 06 05 88 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000188050656F0, 16 bytes long.
 Data: <&#232;f              > E8 66 06 05 88 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000018805060150, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x00000188050659C0, 16 bytes long.
 Data: <&#192;f              > C0 66 06 05 88 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000018805060510, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x0000018805065A60, 16 bytes long.
 Data: < f              > 08 66 06 05 88 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000018805065C90, 16 bytes long.
 Data: <&#224;e              > E0 65 06 05 88 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000018805065B50, 16 bytes long.
 Data: <&#184;e              > B8 65 06 05 88 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000018805065DD0, 16 bytes long.
 Data: < e              > 90 65 06 05 88 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000018805066050, 16 bytes long.
 Data: <he              > 68 65 06 05 88 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000018805065D80, 16 bytes long.
 Data: <@e              > 40 65 06 05 88 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000188050658D0, 16 bytes long.
 Data: < P              > 00 50 06 05 88 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000018805065000, 40 bytes long.
 Data: <&#208;X      &#160;&#135;&#201;     > D0 58 06 05 88 01 00 00 A0 87 C9 06 88 01 00 00 
{262} normal block at 0x0000018805066230, 16 bytes long.
 Data: < e              > 20 65 06 05 88 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000018805065D30, 16 bytes long.
 Data: <&#248;d              > F8 64 06 05 88 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000018805060090, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x0000018805065880, 16 bytes long.
 Data: <&#208;d              > D0 64 06 05 88 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000188050664D0, 992 bytes long.
 Data: < X              > 80 58 06 05 88 01 00 00 90 00 06 05 88 01 00 00 
{94} normal block at 0x000001880505F9D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000001880505F500, 16 bytes long.
 Data: <&#192;&#230;              > C0 E6 04 05 88 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001880504E6C0, 40 bytes long.
 Data: < &#245;      &#208;&#249;      > 00 F5 05 05 88 01 00 00 D0 F9 05 05 88 01 00 00 
{71} normal block at 0x000001880505F320, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 17 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001880505F6E0, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 17 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001880505F140, 16 bytes long.
 Data: <&#248;W  &#247;           > F8 57 14 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001880505F2D0, 16 bytes long.
 Data: <&#216;W  &#247;           > D8 57 14 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001880505F3C0, 16 bytes long.
 Data: <P   &#247;           > 50 04 14 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001880505F5F0, 16 bytes long.
 Data: <0   &#247;           > 30 04 14 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001880505F410, 16 bytes long.
 Data: <&#224;   &#247;           > E0 02 14 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001880505F870, 16 bytes long.
 Data: <    &#247;           > 10 04 14 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001880505F050, 16 bytes long.
 Data: <p   &#247;           > 70 04 14 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001880505F780, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 12 07 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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