Task 38681727

Name test_559-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND4092_0
Workunit 31623381
Created 27 Oct 2026, 5:06:29 UTC
Sent 27 Oct 2026, 5:06:45 UTC
Report deadline 1 Nov 2026, 5:06:45 UTC
Received 27 Oct 2026, 5:24:59 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651810
Run time 17 min 39 sec
CPU time 16 min 56 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,239.72 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 754.18 MB
Peak swap size 12.97 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:07:38 (3728): wrapper (7.9.26016): starting
06:07:38 (3728): 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
06:07:39 (3728): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:07:39 (3728): 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\1\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\1\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
06:24:39 (3728): C:/Windows/system32/cmd.exe exited; CPU time 1016.515625
06:24:39 (3728): 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: 15866971 bytes.
Dumping objects ->
{3835247} normal block at 0x000001F4F9065720, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835236} normal block at 0x000001F4F9065640, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835225} normal block at 0x000001F4F90655D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835214} normal block at 0x000001F4F9065560, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835203} normal block at 0x000001F4F90654F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835172} normal block at 0x000001F4FAE2C4A0, 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) : {3835159} normal block at 0x000001F4F905DB90, 8 bytes long.
 Data: <  Q&#249;&#244;   > 00 00 51 F9 F4 01 00 00 
{3833965} normal block at 0x000001F4F905DD20, 8 bytes long.
 Data: < R&#221;&#250;&#244;   > 00 52 DD FA F4 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001F4F90629F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001F4F90571F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x000001F4F9066590, 16 bytes long.
 Data: <&#184;t &#249;&#244;           > B8 74 06 F9 F4 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001F4F9066860, 16 bytes long.
 Data: < t &#249;&#244;           > 90 74 06 F9 F4 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001F4F9060380, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x000001F4F9066FE0, 16 bytes long.
 Data: <ht &#249;&#244;           > 68 74 06 F9 F4 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001F4F9066A90, 16 bytes long.
 Data: <@t &#249;&#244;           > 40 74 06 F9 F4 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001F4F9066540, 16 bytes long.
 Data: < t &#249;&#244;           > 18 74 06 F9 F4 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001F4F90667C0, 16 bytes long.
 Data: <&#240;s &#249;&#244;           > F0 73 06 F9 F4 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001F4F9065790, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x000001F4F9066810, 16 bytes long.
 Data: <X&#240; &#249;&#244;           > 58 F0 04 F9 F4 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001F4F90605C0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x000001F4F9066A40, 16 bytes long.
 Data: <0&#240; &#249;&#244;           > 30 F0 04 F9 F4 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001F4F9066450, 16 bytes long.
 Data: < &#240; &#249;&#244;           > 08 F0 04 F9 F4 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001F4F9066770, 16 bytes long.
 Data: <&#224;&#239; &#249;&#244;           > E0 EF 04 F9 F4 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001F4F9066310, 16 bytes long.
 Data: <&#184;&#239; &#249;&#244;           > B8 EF 04 F9 F4 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001F4F9066DB0, 16 bytes long.
 Data: < &#239; &#249;&#244;           > 90 EF 04 F9 F4 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001F4F9066220, 16 bytes long.
 Data: <h&#239; &#249;&#244;           > 68 EF 04 F9 F4 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001F4F9060020, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x000001F4F90669F0, 16 bytes long.
 Data: <@&#239; &#249;&#244;           > 40 EF 04 F9 F4 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001F4F904EF40, 320 bytes long.
 Data: <&#240;i &#249;&#244;      &#249;&#244;   > F0 69 06 F9 F4 01 00 00 20 00 06 F9 F4 01 00 00 
{278} normal block at 0x000001F4F9066400, 16 bytes long.
 Data: <&#208;s &#249;&#244;           > D0 73 06 F9 F4 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001F4F90664F0, 16 bytes long.
 Data: <&#168;s &#249;&#244;           > A8 73 06 F9 F4 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001F4F905FD80, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x000001F4F9067120, 16 bytes long.
 Data: < s &#249;&#244;           > 80 73 06 F9 F4 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001F4F905FF00, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x000001F4F9066950, 16 bytes long.
 Data: <&#200;r &#249;&#244;           > C8 72 06 F9 F4 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001F4F90663B0, 16 bytes long.
 Data: <&#160;r &#249;&#244;           > A0 72 06 F9 F4 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001F4F90664A0, 16 bytes long.
 Data: <xr &#249;&#244;           > 78 72 06 F9 F4 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001F4F9066270, 16 bytes long.
 Data: <Pr &#249;&#244;           > 50 72 06 F9 F4 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001F4F90662C0, 16 bytes long.
 Data: <(r &#249;&#244;           > 28 72 06 F9 F4 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001F4F9066630, 16 bytes long.
 Data: < r &#249;&#244;           > 00 72 06 F9 F4 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001F4F9067030, 16 bytes long.
 Data: < X &#249;&#244;           > 00 58 06 F9 F4 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001F4F9065800, 40 bytes long.
 Data: <0p &#249;&#244;   &#160;&#196;&#226;&#250;&#244;   > 30 70 06 F9 F4 01 00 00 A0 C4 E2 FA F4 01 00 00 
{264} normal block at 0x000001F4F9066C20, 16 bytes long.
 Data: <&#224;q &#249;&#244;           > E0 71 06 F9 F4 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001F4F90670D0, 16 bytes long.
 Data: <&#184;q &#249;&#244;           > B8 71 06 F9 F4 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001F4F9060860, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x000001F4F90661D0, 16 bytes long.
 Data: < q &#249;&#244;           > 90 71 06 F9 F4 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001F4F9067190, 992 bytes long.
 Data: <&#208;a &#249;&#244;   `  &#249;&#244;   > D0 61 06 F9 F4 01 00 00 60 08 06 F9 F4 01 00 00 
{96} normal block at 0x000001F4F90606E0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x000001F4F905E310, 16 bytes long.
 Data: <p&#201; &#249;&#244;           > 70 C9 04 F9 F4 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000001F4F904C970, 40 bytes long.
 Data: < &#227; &#249;&#244;   &#224;  &#249;&#244;   > 10 E3 05 F9 F4 01 00 00 E0 06 06 F9 F4 01 00 00 
{73} normal block at 0x000001F4F905E4F0, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA FF 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001F4F905E040, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 FF 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001F4F905E950, 16 bytes long.
 Data: <&#248;W&#252; &#246;           > F8 57 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001F4F905E590, 16 bytes long.
 Data: <&#216;W&#252; &#246;           > D8 57 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001F4F905DFA0, 16 bytes long.
 Data: <P &#252; &#246;           > 50 04 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001F4F905DD70, 16 bytes long.
 Data: <0 &#252; &#246;           > 30 04 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001F4F905E900, 16 bytes long.
 Data: <&#224; &#252; &#246;           > E0 02 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001F4F905E6D0, 16 bytes long.
 Data: <  &#252; &#246;           > 10 04 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001F4F905E720, 16 bytes long.
 Data: <p &#252; &#246;           > 70 04 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001F4F905E270, 16 bytes long.
 Data: < &#192;&#250; &#246;           > 18 C0 FA 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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