Task 38661321

Name test_850-GPUGRID_TEST_ATM_40STEP_20261023-6-40-RND0323_0
Workunit 31604745
Created 24 Oct 2026, 15:35:03 UTC
Sent 24 Oct 2026, 15:38:13 UTC
Report deadline 29 Oct 2026, 15:38:13 UTC
Received 25 Oct 2026, 3:47:07 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 643201
Run time 21 min 37 sec
CPU time 21 min 37 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 23,192.10 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 729.18 MB
Peak swap size 5.48 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
19:11:55 (37848): wrapper (7.9.26016): starting
19:11:55 (37848): 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
19:11:56 (37848): Library/usr/bin/tar.exe exited; CPU time 0.015625
19:11:56 (37848): 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
19:37:11 (37848): C:/Windows/system32/cmd.exe exited; CPU time 1297.828125
19:37:11 (37848): 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: 31001071 bytes.
Dumping objects ->
{3835256} normal block at 0x000001F60CE98070, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835245} normal block at 0x000001F60B194970, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835234} normal block at 0x000001F60B194900, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835223} normal block at 0x000001F60B194890, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x000001F60B194580, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835181} normal block at 0x000001F60CEAB470, 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) : {3835168} normal block at 0x000001F60B18FDC0, 8 bytes long.
 Data: <  a &#246;   > 00 00 61 0B F6 01 00 00 
{3833957} normal block at 0x000001F60B190310, 8 bytes long.
 Data: <&#208;F&#240; &#246;   > D0 46 F0 0C F6 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001F60B186770, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001F60B187420, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000001F60B195270, 16 bytes long.
 Data: <&#216;d  &#246;           > D8 64 19 0B F6 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001F60B1953B0, 16 bytes long.
 Data: <&#176;d  &#246;           > B0 64 19 0B F6 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001F60B1912F0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000001F60B195180, 16 bytes long.
 Data: < d  &#246;           > 88 64 19 0B F6 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001F60B195130, 16 bytes long.
 Data: <`d  &#246;           > 60 64 19 0B F6 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001F60B1958B0, 16 bytes long.
 Data: <8d  &#246;           > 38 64 19 0B F6 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001F60B1950E0, 16 bytes long.
 Data: < d  &#246;           > 10 64 19 0B F6 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001F60B1945F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000001F60B195090, 16 bytes long.
 Data: <&#184;&#158;  &#246;           > B8 9E 18 0B F6 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001F60B190F90, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000001F60B195A90, 16 bytes long.
 Data: < &#158;  &#246;           > 90 9E 18 0B F6 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F60B195EF0, 16 bytes long.
 Data: <h&#158;  &#246;           > 68 9E 18 0B F6 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001F60B195EA0, 16 bytes long.
 Data: <@&#158;  &#246;           > 40 9E 18 0B F6 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001F60B1952C0, 16 bytes long.
 Data: < &#158;  &#246;           > 18 9E 18 0B F6 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001F60B195540, 16 bytes long.
 Data: <&#240;   &#246;           > F0 9D 18 0B F6 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001F60B195AE0, 16 bytes long.
 Data: <&#200;   &#246;           > C8 9D 18 0B F6 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001F60B190810, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000001F60B1956D0, 16 bytes long.
 Data: <&#160;   &#246;           > A0 9D 18 0B F6 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001F60B189DA0, 320 bytes long.
 Data: <&#208;V  &#246;       &#246;   > D0 56 19 0B F6 01 00 00 10 08 19 0B F6 01 00 00 
{274} normal block at 0x000001F60B195E50, 16 bytes long.
 Data: <&#240;c  &#246;           > F0 63 19 0B F6 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001F60B195900, 16 bytes long.
 Data: <&#200;c  &#246;           > C8 63 19 0B F6 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001F60B191050, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000001F60B195220, 16 bytes long.
 Data: <&#160;c  &#246;           > A0 63 19 0B F6 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001F60B191290, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000001F60B195F40, 16 bytes long.
 Data: <&#232;b  &#246;           > E8 62 19 0B F6 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001F60B195DB0, 16 bytes long.
 Data: <&#192;b  &#246;           > C0 62 19 0B F6 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001F60B195810, 16 bytes long.
 Data: < b  &#246;           > 98 62 19 0B F6 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001F60B195040, 16 bytes long.
 Data: <pb  &#246;           > 70 62 19 0B F6 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001F60B1954F0, 16 bytes long.
 Data: <Hb  &#246;           > 48 62 19 0B F6 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001F60B195D60, 16 bytes long.
 Data: < b  &#246;           > 20 62 19 0B F6 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001F60B195A40, 16 bytes long.
 Data: <`F  &#246;           > 60 46 19 0B F6 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001F60B194660, 40 bytes long.
 Data: <@Z  &#246;   p&#180;&#234; &#246;   > 40 5A 19 0B F6 01 00 00 70 B4 EA 0C F6 01 00 00 
{260} normal block at 0x000001F60B195E00, 16 bytes long.
 Data: < b  &#246;           > 00 62 19 0B F6 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001F60B195C70, 16 bytes long.
 Data: <&#216;a  &#246;           > D8 61 19 0B F6 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001F60B190750, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000001F60B1954A0, 16 bytes long.
 Data: <&#176;a  &#246;           > B0 61 19 0B F6 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001F60B1961B0, 992 bytes long.
 Data: <&#160;T  &#246;   P   &#246;   > A0 54 19 0B F6 01 00 00 50 07 19 0B F6 01 00 00 
{92} normal block at 0x000001F60B191230, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000001F60B18FE60, 16 bytes long.
 Data: <&#160;&#238;  &#246;           > A0 EE 17 0B F6 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001F60B17EEA0, 40 bytes long.
 Data: <`&#254;  &#246;   0   &#246;   > 60 FE 18 0B F6 01 00 00 30 12 19 0B F6 01 00 00 
{69} normal block at 0x000001F60B18F5F0, 16 bytes long.
 Data: < &#234;v&#170;&#247;           > 80 EA 76 AA F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001F60B190270, 16 bytes long.
 Data: <@&#233;v&#170;&#247;           > 40 E9 76 AA F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001F60B18FA50, 16 bytes long.
 Data: <&#248;Ws&#170;&#247;           > F8 57 73 AA F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001F60B190130, 16 bytes long.
 Data: <&#216;Ws&#170;&#247;           > D8 57 73 AA F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001F60B190400, 16 bytes long.
 Data: <P s&#170;&#247;           > 50 04 73 AA F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001F60B18F960, 16 bytes long.
 Data: <0 s&#170;&#247;           > 30 04 73 AA F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001F60B1901D0, 16 bytes long.
 Data: <&#224; s&#170;&#247;           > E0 02 73 AA F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001F60B18F500, 16 bytes long.
 Data: <  s&#170;&#247;           > 10 04 73 AA F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001F60B18F910, 16 bytes long.
 Data: <p s&#170;&#247;           > 70 04 73 AA F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001F60B18F5A0, 16 bytes long.
 Data: < &#192;q&#170;&#247;           > 18 C0 71 AA F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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