Task 38661076

Name test_630-GPUGRID_TEST_ATM_40STEP_20261023-5-40-RND4712_0
Workunit 31604523
Created 24 Oct 2026, 15:10:37 UTC
Sent 24 Oct 2026, 15:16:00 UTC
Report deadline 29 Oct 2026, 15:16:00 UTC
Received 24 Oct 2026, 16:19:26 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648332
Run time 23 min 59 sec
CPU time 22 min 11 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 23,707.18 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 729.39 MB
Peak swap size 8.41 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:53:36 (528): wrapper (7.9.26016): starting
11:53:36 (528): 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
11:53:38 (528): Library/usr/bin/tar.exe exited; CPU time 0.015625
11:53:38 (528): 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
12:16:51 (528): C:/Windows/system32/cmd.exe exited; CPU time 1331.093750
12:16:51 (528): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 25810657 bytes.
Dumping objects ->
{3835219} normal block at 0x000001AE15889250, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835208} normal block at 0x000001AE158891E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835197} normal block at 0x000001AE15889790, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835186} normal block at 0x000001AE158896B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x000001AE15889720, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835144} normal block at 0x000001AE175CFE80, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835133} normal block at 0x000001AE175E2FF0, 102 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) : {3835130} normal block at 0x000001AE15882050, 8 bytes long.
 Data: <  &#196; &#174;   > 00 00 C4 15 AE 01 00 00 
{3834528} normal block at 0x000001AE175E2910, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x000001AE158825F0, 8 bytes long.
 Data: <p&#186;[ &#174;   > 70 BA 5B 17 AE 01 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x000001AE1587CAB0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001AE15876230, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x000001AE1588A010, 16 bytes long.
 Data: <h&#172;  &#174;           > 68 AC 88 15 AE 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001AE158899D0, 16 bytes long.
 Data: <@&#172;  &#174;           > 40 AC 88 15 AE 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001AE15884EE0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x000001AE1588A330, 16 bytes long.
 Data: < &#172;  &#174;           > 18 AC 88 15 AE 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001AE15889980, 16 bytes long.
 Data: <&#240;&#171;  &#174;           > F0 AB 88 15 AE 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001AE15889BB0, 16 bytes long.
 Data: <&#200;&#171;  &#174;           > C8 AB 88 15 AE 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001AE15889A70, 16 bytes long.
 Data: <&#160;&#171;  &#174;           > A0 AB 88 15 AE 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001AE15889800, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x000001AE15889A20, 16 bytes long.
 Data: <&#200;&#231;&#135; &#174;           > C8 E7 87 15 AE 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001AE15884DC0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x000001AE1588A470, 16 bytes long.
 Data: <&#160;&#231;&#135; &#174;           > A0 E7 87 15 AE 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001AE1588A240, 16 bytes long.
 Data: <x&#231;&#135; &#174;           > 78 E7 87 15 AE 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001AE15889FC0, 16 bytes long.
 Data: <P&#231;&#135; &#174;           > 50 E7 87 15 AE 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001AE15889F20, 16 bytes long.
 Data: <(&#231;&#135; &#174;           > 28 E7 87 15 AE 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001AE1588A2E0, 16 bytes long.
 Data: < &#231;&#135; &#174;           > 00 E7 87 15 AE 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001AE15889E30, 16 bytes long.
 Data: <&#216;&#230;&#135; &#174;           > D8 E6 87 15 AE 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001AE15884E20, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x000001AE1588A3D0, 16 bytes long.
 Data: <&#176;&#230;&#135; &#174;           > B0 E6 87 15 AE 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001AE1587E6B0, 320 bytes long.
 Data: <&#208;&#163;  &#174;    N  &#174;   > D0 A3 88 15 AE 01 00 00 20 4E 88 15 AE 01 00 00 
{269} normal block at 0x000001AE15889B60, 16 bytes long.
 Data: < &#171;  &#174;           > 80 AB 88 15 AE 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001AE1588A4C0, 16 bytes long.
 Data: <X&#171;  &#174;           > 58 AB 88 15 AE 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001AE158858A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x000001AE15889CA0, 16 bytes long.
 Data: <0&#171;  &#174;           > 30 AB 88 15 AE 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001AE158855A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x000001AE1588A6A0, 16 bytes long.
 Data: <x&#170;  &#174;           > 78 AA 88 15 AE 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001AE1588A830, 16 bytes long.
 Data: <P&#170;  &#174;           > 50 AA 88 15 AE 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001AE1588A7E0, 16 bytes long.
 Data: <(&#170;  &#174;           > 28 AA 88 15 AE 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001AE1588A5B0, 16 bytes long.
 Data: < &#170;  &#174;           > 00 AA 88 15 AE 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001AE1588A880, 16 bytes long.
 Data: <&#216;&#169;  &#174;           > D8 A9 88 15 AE 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001AE15889ED0, 16 bytes long.
 Data: <&#176;&#169;  &#174;           > B0 A9 88 15 AE 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001AE15889F70, 16 bytes long.
 Data: <&#192;&#146;  &#174;           > C0 92 88 15 AE 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001AE158892C0, 40 bytes long.
 Data: <p&#159;  &#174;    &#254;\ &#174;   > 70 9F 88 15 AE 01 00 00 80 FE 5C 17 AE 01 00 00 
{255} normal block at 0x000001AE15889E80, 16 bytes long.
 Data: < &#169;  &#174;           > 90 A9 88 15 AE 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001AE1588A1F0, 16 bytes long.
 Data: <h&#169;  &#174;           > 68 A9 88 15 AE 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001AE15885420, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x000001AE1588A560, 16 bytes long.
 Data: <@&#169;  &#174;           > 40 A9 88 15 AE 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000001AE1588A940, 992 bytes long.
 Data: <`&#165;  &#174;    T  &#174;   > 60 A5 88 15 AE 01 00 00 20 54 88 15 AE 01 00 00 
{87} normal block at 0x000001AE15885780, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x000001AE15881D30, 16 bytes long.
 Data: <`&#149;  &#174;           > 60 95 88 15 AE 01 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x000001AE15889560, 40 bytes long.
 Data: <0   &#174;    W  &#174;   > 30 1D 88 15 AE 01 00 00 80 57 88 15 AE 01 00 00 
{64} normal block at 0x000001AE15882460, 16 bytes long.
 Data: < &#234;&#181;1&#247;           > 80 EA B5 31 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001AE15882690, 16 bytes long.
 Data: <@&#233;&#181;1&#247;           > 40 E9 B5 31 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001AE15881C40, 16 bytes long.
 Data: <&#248;W&#178;1&#247;           > F8 57 B2 31 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001AE15881BF0, 16 bytes long.
 Data: <&#216;W&#178;1&#247;           > D8 57 B2 31 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001AE15881FB0, 16 bytes long.
 Data: <P &#178;1&#247;           > 50 04 B2 31 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001AE15881970, 16 bytes long.
 Data: <0 &#178;1&#247;           > 30 04 B2 31 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001AE15881F10, 16 bytes long.
 Data: <&#224; &#178;1&#247;           > E0 02 B2 31 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001AE15881DD0, 16 bytes long.
 Data: <  &#178;1&#247;           > 10 04 B2 31 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001AE15881EC0, 16 bytes long.
 Data: <p &#178;1&#247;           > 70 04 B2 31 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001AE15882500, 16 bytes long.
 Data: < &#192;&#176;1&#247;           > 18 C0 B0 31 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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