Task 38685742

Name test_923-GPUGRID_TEST_ATM_40STEP_20261023-6-40-RND5800_0
Workunit 31627200
Created 27 Oct 2026, 22:40:14 UTC
Sent 27 Oct 2026, 22:40:26 UTC
Report deadline 1 Nov 2026, 22:40:26 UTC
Received 27 Oct 2026, 23:12:29 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 639137
Run time 31 min 15 sec
CPU time 28 min 28 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,451.30 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 724.55 MB
Peak swap size 8.31 GB
Peak disk usage 3.91 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
02:42:16 (29792): wrapper (7.9.26016): starting
02:42:16 (29792): 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
02:42:18 (29792): Library/usr/bin/tar.exe exited; CPU time 0.015625
02:42:18 (29792): 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\10\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\10\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
03:11:58 (29792): C:/Windows/system32/cmd.exe exited; CPU time 1707.984375
03:11:58 (29792): 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: 48082849 bytes.
Dumping objects ->
{3835387} normal block at 0x0000024E64AED290, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835376} normal block at 0x0000024E64AEE170, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835365} normal block at 0x0000024E62D65290, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835354} normal block at 0x0000024E62D65220, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835343} normal block at 0x0000024E62D65530, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835312} normal block at 0x0000024E64B368B0, 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) : {3835299} normal block at 0x0000024E62D5D6E0, 8 bytes long.
 Data: <  &#211;bN   > 00 00 D3 62 4E 02 00 00 
{3833968} normal block at 0x0000024E62D5D690, 8 bytes long.
 Data: <`&#215;&#212;bN   > 60 D7 D4 62 4E 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000024E62D60BD0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000024E62D56AC0, 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 0x0000024E62D65FE0, 16 bytes long.
 Data: <(m&#214;bN           > 28 6D D6 62 4E 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000024E62D661C0, 16 bytes long.
 Data: < m&#214;bN           > 00 6D D6 62 4E 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000024E62D603E0, 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 0x0000024E62D668A0, 16 bytes long.
 Data: <&#216;l&#214;bN           > D8 6C D6 62 4E 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000024E62D65E50, 16 bytes long.
 Data: <&#176;l&#214;bN           > B0 6C D6 62 4E 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000024E62D65CC0, 16 bytes long.
 Data: < l&#214;bN           > 88 6C D6 62 4E 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000024E62D66850, 16 bytes long.
 Data: <`l&#214;bN           > 60 6C D6 62 4E 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000024E62D650D0, 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 0x0000024E62D66800, 16 bytes long.
 Data: <&#184;&#242;&#212;bN           > B8 F2 D4 62 4E 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000024E62D607A0, 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 0x0000024E62D667B0, 16 bytes long.
 Data: < &#242;&#212;bN           > 90 F2 D4 62 4E 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000024E62D66760, 16 bytes long.
 Data: <h&#242;&#212;bN           > 68 F2 D4 62 4E 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000024E62D65F90, 16 bytes long.
 Data: <@&#242;&#212;bN           > 40 F2 D4 62 4E 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000024E62D66490, 16 bytes long.
 Data: < &#242;&#212;bN           > 18 F2 D4 62 4E 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000024E62D65C70, 16 bytes long.
 Data: <&#240;&#241;&#212;bN           > F0 F1 D4 62 4E 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000024E62D66440, 16 bytes long.
 Data: <&#200;&#241;&#212;bN           > C8 F1 D4 62 4E 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000024E62D60860, 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 0x0000024E62D65C20, 16 bytes long.
 Data: <&#160;&#241;&#212;bN           > A0 F1 D4 62 4E 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000024E62D4F1A0, 320 bytes long.
 Data: < \&#214;bN   ` &#214;bN   > 20 5C D6 62 4E 02 00 00 60 08 D6 62 4E 02 00 00 
{277} normal block at 0x0000024E62D66710, 16 bytes long.
 Data: <@l&#214;bN           > 40 6C D6 62 4E 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000024E62D65BD0, 16 bytes long.
 Data: < l&#214;bN           > 18 6C D6 62 4E 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000024E62D60980, 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 0x0000024E62D666C0, 16 bytes long.
 Data: <&#240;k&#214;bN           > F0 6B D6 62 4E 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000024E62D60620, 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 0x0000024E62D65A90, 16 bytes long.
 Data: <8k&#214;bN           > 38 6B D6 62 4E 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000024E62D65B80, 16 bytes long.
 Data: < k&#214;bN           > 10 6B D6 62 4E 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000024E62D65F40, 16 bytes long.
 Data: <&#232;j&#214;bN           > E8 6A D6 62 4E 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000024E62D65DB0, 16 bytes long.
 Data: <&#192;j&#214;bN           > C0 6A D6 62 4E 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000024E62D66620, 16 bytes long.
 Data: < j&#214;bN           > 98 6A D6 62 4E 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000024E62D65B30, 16 bytes long.
 Data: <pj&#214;bN           > 70 6A D6 62 4E 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000024E62D665D0, 16 bytes long.
 Data: <&#176;Q&#214;bN           > B0 51 D6 62 4E 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000024E62D651B0, 40 bytes long.
 Data: <&#208;e&#214;bN   &#176;h&#179;dN   > D0 65 D6 62 4E 02 00 00 B0 68 B3 64 4E 02 00 00 
{263} normal block at 0x0000024E62D65D60, 16 bytes long.
 Data: <Pj&#214;bN           > 50 6A D6 62 4E 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000024E62D66990, 16 bytes long.
 Data: <(j&#214;bN           > 28 6A D6 62 4E 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000024E62D605C0, 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 0x0000024E62D66670, 16 bytes long.
 Data: < j&#214;bN           > 00 6A D6 62 4E 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000024E62D66A00, 992 bytes long.
 Data: <pf&#214;bN   &#192; &#214;bN   > 70 66 D6 62 4E 02 00 00 C0 05 D6 62 4E 02 00 00 
{95} normal block at 0x0000024E62D5FB40, 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 0x0000024E62D5DA00, 16 bytes long.
 Data: <&#192;T&#214;bN           > C0 54 D6 62 4E 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000024E62D654C0, 40 bytes long.
 Data: < &#218;&#213;bN   @&#251;&#213;bN   > 00 DA D5 62 4E 02 00 00 40 FB D5 62 4E 02 00 00 
{72} normal block at 0x0000024E62D5DBE0, 16 bytes long.
 Data: < &#234;&#160;k&#246;           > 80 EA A0 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000024E62D5DE10, 16 bytes long.
 Data: <@&#233;&#160;k&#246;           > 40 E9 A0 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000024E62D5D5A0, 16 bytes long.
 Data: <&#248;W k&#246;           > F8 57 9D 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000024E62D5DC30, 16 bytes long.
 Data: <&#216;W k&#246;           > D8 57 9D 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000024E62D5D550, 16 bytes long.
 Data: <P  k&#246;           > 50 04 9D 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000024E62D5D640, 16 bytes long.
 Data: <0  k&#246;           > 30 04 9D 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000024E62D5DCD0, 16 bytes long.
 Data: <&#224;  k&#246;           > E0 02 9D 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000024E62D5DC80, 16 bytes long.
 Data: <   k&#246;           > 10 04 9D 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000024E62D5E180, 16 bytes long.
 Data: <p  k&#246;           > 70 04 9D 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000024E62D5E450, 16 bytes long.
 Data: < &#192;&#155;k&#246;           > 18 C0 9B 6B F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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