Task 38677899

Name test_307-GPUGRID_TEST_ATM_40STEP_20261023-28-40-RND1192_0
Workunit 31619753
Created 26 Oct 2026, 15:44:53 UTC
Sent 26 Oct 2026, 15:44:59 UTC
Report deadline 31 Oct 2026, 15:44:59 UTC
Received 26 Oct 2026, 16:25:35 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 527233
Run time 40 min 4 sec
CPU time 37 min 13 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,394.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 692.31 MB
Peak swap size 6.85 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:46:03 (8632): wrapper (7.9.26016): starting
11:46:03 (8632): 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
11:46:04 (8632): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:46:04 (8632): 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\13\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\13\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
12:25:09 (8632): C:/Windows/system32/cmd.exe exited; CPU time 2233.046875
12:25:09 (8632): 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: 29484965 bytes.
Dumping objects ->
{3835219} normal block at 0x000001360FA374E0, 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 0x000001360FA37940, 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 0x000001360FA37080, 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 0x000001360FA37C50, 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 0x000001360DD1B420, 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 0x000001360F9DB640, 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 0x000001360FA3D800, 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 0x000001360DD16E70, 8 bytes long.
 Data: <  &#203; 6   > 00 00 CB 0D 36 01 00 00 
{3834526} normal block at 0x000001360FA3D3E0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833945} normal block at 0x000001360DD169C0, 8 bytes long.
 Data: <`|&#167; 6   > 60 7C A7 0F 36 01 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000001360DD20050, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001360DD05C70, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x000001360DD215E0, 16 bytes long.
 Data: < 6&#210; 6           > 98 36 D2 0D 36 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001360DD21EF0, 16 bytes long.
 Data: <p6&#210; 6           > 70 36 D2 0D 36 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001360DD1D110, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x000001360DD21E50, 16 bytes long.
 Data: <H6&#210; 6           > 48 36 D2 0D 36 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001360DD21C70, 16 bytes long.
 Data: < 6&#210; 6           > 20 36 D2 0D 36 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001360DD21C20, 16 bytes long.
 Data: <&#248;5&#210; 6           > F8 35 D2 0D 36 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001360DD21590, 16 bytes long.
 Data: <&#208;5&#210; 6           > D0 35 D2 0D 36 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001360DD1B5E0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x000001360DD21EA0, 16 bytes long.
 Data: < \&#208; 6           > 08 5C D0 0D 36 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001360DD1C630, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x000001360DD216D0, 16 bytes long.
 Data: <&#224;[&#208; 6           > E0 5B D0 0D 36 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001360DD21680, 16 bytes long.
 Data: <&#184;[&#208; 6           > B8 5B D0 0D 36 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001360DD21B80, 16 bytes long.
 Data: < [&#208; 6           > 90 5B D0 0D 36 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001360DD21130, 16 bytes long.
 Data: <h[&#208; 6           > 68 5B D0 0D 36 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001360DD21A40, 16 bytes long.
 Data: <@[&#208; 6           > 40 5B D0 0D 36 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001360DD21E00, 16 bytes long.
 Data: < [&#208; 6           > 18 5B D0 0D 36 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001360DD1CB10, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x000001360DD21360, 16 bytes long.
 Data: <&#240;Z&#208; 6           > F0 5A D0 0D 36 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001360DD05AF0, 320 bytes long.
 Data: <` &#210; 6    &#203;&#209; 6   > 60 13 D2 0D 36 01 00 00 10 CB D1 0D 36 01 00 00 
{268} normal block at 0x000001360DD219F0, 16 bytes long.
 Data: <&#176;5&#210; 6           > B0 35 D2 0D 36 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001360DD21D60, 16 bytes long.
 Data: < 5&#210; 6           > 88 35 D2 0D 36 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001360DD1C570, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x000001360DD212C0, 16 bytes long.
 Data: <`5&#210; 6           > 60 35 D2 0D 36 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001360DD1CBD0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x000001360DD21270, 16 bytes long.
 Data: <&#168;4&#210; 6           > A8 34 D2 0D 36 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001360DD21310, 16 bytes long.
 Data: < 4&#210; 6           > 80 34 D2 0D 36 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001360DD21220, 16 bytes long.
 Data: <X4&#210; 6           > 58 34 D2 0D 36 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001360DD219A0, 16 bytes long.
 Data: <04&#210; 6           > 30 34 D2 0D 36 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001360DD21BD0, 16 bytes long.
 Data: < 4&#210; 6           > 08 34 D2 0D 36 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001360DD21900, 16 bytes long.
 Data: <&#224;3&#210; 6           > E0 33 D2 0D 36 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001360DD211D0, 16 bytes long.
 Data: <p&#181;&#209; 6           > 70 B5 D1 0D 36 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001360DD1B570, 40 bytes long.
 Data: <&#208; &#210; 6   @&#182;  6   > D0 11 D2 0D 36 01 00 00 40 B6 9D 0F 36 01 00 00 
{254} normal block at 0x000001360DD21770, 16 bytes long.
 Data: <&#192;3&#210; 6           > C0 33 D2 0D 36 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001360DD218B0, 16 bytes long.
 Data: < 3&#210; 6           > 98 33 D2 0D 36 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001360DD1C750, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x000001360DD21D10, 16 bytes long.
 Data: <p3&#210; 6           > 70 33 D2 0D 36 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000001360DD23370, 992 bytes long.
 Data: <  &#210; 6   P&#199;&#209; 6   > 10 1D D2 0D 36 01 00 00 50 C7 D1 0D 36 01 00 00 
{86} normal block at 0x000001360DD1D230, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x000001360DD16BA0, 16 bytes long.
 Data: <P&#182;&#209; 6           > 50 B6 D1 0D 36 01 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000001360DD1B650, 40 bytes long.
 Data: <&#160;k&#209; 6   0&#210;&#209; 6   > A0 6B D1 0D 36 01 00 00 30 D2 D1 0D 36 01 00 00 
{63} normal block at 0x000001360DD16420, 16 bytes long.
 Data: < &#234;&#163;&#201;&#247;           > 80 EA A3 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001360DD17230, 16 bytes long.
 Data: <@&#233;&#163;&#201;&#247;           > 40 E9 A3 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001360DD168D0, 16 bytes long.
 Data: <&#248;W&#160;&#201;&#247;           > F8 57 A0 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001360DD17050, 16 bytes long.
 Data: <&#216;W&#160;&#201;&#247;           > D8 57 A0 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001360DD16CE0, 16 bytes long.
 Data: <P &#160;&#201;&#247;           > 50 04 A0 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001360DD16DD0, 16 bytes long.
 Data: <0 &#160;&#201;&#247;           > 30 04 A0 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001360DD16D80, 16 bytes long.
 Data: <&#224; &#160;&#201;&#247;           > E0 02 A0 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001360DD166A0, 16 bytes long.
 Data: <  &#160;&#201;&#247;           > 10 04 A0 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001360DD16380, 16 bytes long.
 Data: <p &#160;&#201;&#247;           > 70 04 A0 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000001360DD16D30, 16 bytes long.
 Data: < &#192;&#158;&#201;&#247;           > 18 C0 9E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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