Task 38679494

Name test_44-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND9539_0
Workunit 31621266
Created 26 Oct 2026, 20:46:00 UTC
Sent 26 Oct 2026, 20:46:01 UTC
Report deadline 31 Oct 2026, 20:46:01 UTC
Received 26 Oct 2026, 21:22:32 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 604231
Run time 27 min 57 sec
CPU time 27 min 57 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 82,578.99 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 743.04 MB
Peak swap size 13.15 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
15:49:58 (31268): wrapper (7.9.26016): starting
15:49:58 (31268): 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
15:49:59 (31268): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:49:59 (31268): 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 'M:\BOINC\slots\6\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 'M:\BOINC\slots\6\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
16:19:00 (31268): C:/Windows/system32/cmd.exe exited; CPU time 1677.812500
16:19:00 (31268): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 32438861 bytes.
Dumping objects ->
{3835626} normal block at 0x0000019BCD494D10, 48 bytes long.
 Data: <PATH=M:\BOINC\sl> 50 41 54 48 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835615} normal block at 0x0000019BCF2A16B0, 32 bytes long.
 Data: <HOME=M:\BOINC\sl> 48 4F 4D 45 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835604} normal block at 0x0000019BCF2A11D0, 32 bytes long.
 Data: <TMP=M:\BOINC\slo> 54 4D 50 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835593} normal block at 0x0000019BCF2A0F90, 32 bytes long.
 Data: <TEMP=M:\BOINC\sl> 54 45 4D 50 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835582} normal block at 0x0000019BCF2A1170, 32 bytes long.
 Data: <TMPDIR=M:\BOINC\> 54 4D 50 44 49 52 3D 4D 3A 5C 42 4F 49 4E 43 5C 
{3835551} normal block at 0x0000019BCD494CA0, 48 bytes long.
 Data: <PATH=M:\BOINC\sl> 50 41 54 48 3D 4D 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835540} normal block at 0x0000019BCD48B6A0, 200 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) : {3835537} normal block at 0x0000019BCD48D060, 8 bytes long.
 Data: <  A&#205;&#155;   > 00 00 41 CD 9B 01 00 00 
{3834737} normal block at 0x0000019BCD48A6B0, 200 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x0000019BCD48D740, 8 bytes long.
 Data: <&#160;&#162;&&#207;&#155;   > A0 A2 26 CF 9B 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000019BCD490CF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000019BCD47E9E0, 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 0x0000019BCD495B10, 16 bytes long.
 Data: <&#216;eI&#205;&#155;           > D8 65 49 CD 9B 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000019BCD495F20, 16 bytes long.
 Data: <&#176;eI&#205;&#155;           > B0 65 49 CD 9B 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000019BCD48EF40, 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 0x0000019BCD495A70, 16 bytes long.
 Data: < eI&#205;&#155;           > 88 65 49 CD 9B 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000019BCD495B60, 16 bytes long.
 Data: <`eI&#205;&#155;           > 60 65 49 CD 9B 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000019BCD495660, 16 bytes long.
 Data: <8eI&#205;&#155;           > 38 65 49 CD 9B 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000019BCD495610, 16 bytes long.
 Data: < eI&#205;&#155;           > 10 65 49 CD 9B 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000019BCD4951E0, 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 0x0000019BCD495AC0, 16 bytes long.
 Data: <&#168;&#255;G&#205;&#155;           > A8 FF 47 CD 9B 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000019BCD48F240, 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 0x0000019BCD4955C0, 16 bytes long.
 Data: < &#255;G&#205;&#155;           > 80 FF 47 CD 9B 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000019BCD495750, 16 bytes long.
 Data: <X&#255;G&#205;&#155;           > 58 FF 47 CD 9B 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000019BCD495390, 16 bytes long.
 Data: <0&#255;G&#205;&#155;           > 30 FF 47 CD 9B 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000019BCD495930, 16 bytes long.
 Data: < &#255;G&#205;&#155;           > 08 FF 47 CD 9B 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000019BCD495340, 16 bytes long.
 Data: <&#224;&#254;G&#205;&#155;           > E0 FE 47 CD 9B 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000019BCD495520, 16 bytes long.
 Data: <&#184;&#254;G&#205;&#155;           > B8 FE 47 CD 9B 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000019BCD48F780, 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 0x0000019BCD495700, 16 bytes long.
 Data: < &#254;G&#205;&#155;           > 90 FE 47 CD 9B 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000019BCD47FE90, 320 bytes long.
 Data: < WI&#205;&#155;    &#247;H&#205;&#155;   > 00 57 49 CD 9B 01 00 00 80 F7 48 CD 9B 01 00 00 
{277} normal block at 0x0000019BCD495570, 16 bytes long.
 Data: <&#240;dI&#205;&#155;           > F0 64 49 CD 9B 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000019BCD4952F0, 16 bytes long.
 Data: <&#200;dI&#205;&#155;           > C8 64 49 CD 9B 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000019BCD48F720, 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 0x0000019BCD4958E0, 16 bytes long.
 Data: <&#160;dI&#205;&#155;           > A0 64 49 CD 9B 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000019BCD48EBE0, 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 0x0000019BCD495890, 16 bytes long.
 Data: <&#232;cI&#205;&#155;           > E8 63 49 CD 9B 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000019BCD495480, 16 bytes long.
 Data: <&#192;cI&#205;&#155;           > C0 63 49 CD 9B 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000019BCD495ED0, 16 bytes long.
 Data: < cI&#205;&#155;           > 98 63 49 CD 9B 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000019BCD495E80, 16 bytes long.
 Data: <pcI&#205;&#155;           > 70 63 49 CD 9B 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000019BCD4953E0, 16 bytes long.
 Data: <HcI&#205;&#155;           > 48 63 49 CD 9B 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000019BCD4961F0, 16 bytes long.
 Data: < cI&#205;&#155;           > 20 63 49 CD 9B 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000019BCD495F70, 16 bytes long.
 Data: <`NI&#205;&#155;           > 60 4E 49 CD 9B 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000019BCD494E60, 40 bytes long.
 Data: <p_I&#205;&#155;   &#160;LI&#205;&#155;   > 70 5F 49 CD 9B 01 00 00 A0 4C 49 CD 9B 01 00 00 
{263} normal block at 0x0000019BCD495A20, 16 bytes long.
 Data: < cI&#205;&#155;           > 00 63 49 CD 9B 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000019BCD4959D0, 16 bytes long.
 Data: <&#216;bI&#205;&#155;           > D8 62 49 CD 9B 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000019BCD48F000, 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 0x0000019BCD4954D0, 16 bytes long.
 Data: <&#176;bI&#205;&#155;           > B0 62 49 CD 9B 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000019BCD4962B0, 992 bytes long.
 Data: <&#208;TI&#205;&#155;    &#240;H&#205;&#155;   > D0 54 49 CD 9B 01 00 00 00 F0 48 CD 9B 01 00 00 
{95} normal block at 0x0000019BCD48F660, 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 0x0000019BCD48D1A0, 16 bytes long.
 Data: <&#160;&#213;G&#205;&#155;           > A0 D5 47 CD 9B 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000019BCD47D5A0, 40 bytes long.
 Data: <&#160;&#209;H&#205;&#155;   `&#246;H&#205;&#155;   > A0 D1 48 CD 9B 01 00 00 60 F6 48 CD 9B 01 00 00 
{72} normal block at 0x0000019BCD48D650, 16 bytes long.
 Data: < &#234;&#215;Z&#247;           > 80 EA D7 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000019BCD48D9C0, 16 bytes long.
 Data: <@&#233;&#215;Z&#247;           > 40 E9 D7 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000019BCD48D380, 16 bytes long.
 Data: <&#248;W&#212;Z&#247;           > F8 57 D4 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000019BCD48D470, 16 bytes long.
 Data: <&#216;W&#212;Z&#247;           > D8 57 D4 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000019BCD48DFB0, 16 bytes long.
 Data: <P &#212;Z&#247;           > 50 04 D4 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000019BCD48D560, 16 bytes long.
 Data: <0 &#212;Z&#247;           > 30 04 D4 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000019BCD48D6F0, 16 bytes long.
 Data: <&#224; &#212;Z&#247;           > E0 02 D4 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000019BCD48D150, 16 bytes long.
 Data: <  &#212;Z&#247;           > 10 04 D4 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000019BCD48DBF0, 16 bytes long.
 Data: <p &#212;Z&#247;           > 70 04 D4 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000019BCD48DD80, 16 bytes long.
 Data: < &#192;&#210;Z&#247;           > 18 C0 D2 5A F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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