Task 38693056

Name test_662-GPUGRID_TEST_ATM_40STEP_20261023-12-40-RND8475_1
Workunit 31609697
Created 30 Oct 2026, 5:47:57 UTC
Sent 30 Oct 2026, 5:48:02 UTC
Report deadline 4 Nov 2026, 5:48:02 UTC
Received 30 Oct 2026, 6:44:24 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654688
Run time 54 min 52 sec
CPU time 49 min 41 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,587.42 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 666.14 MB
Peak swap size 3.84 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>7.16.11</core_client_version>
<![CDATA[
<stderr_txt>
06:49:58 (8252): wrapper (7.9.26016): starting
06:49:58 (8252): 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
06:50:00 (8252): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:50:00 (8252): 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\9\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\9\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
07:43:07 (8252): C:/Windows/system32/cmd.exe exited; CPU time 2981.265625
07:43:07 (8252): 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: 37002493 bytes.
Dumping objects ->
{3835245} normal block at 0x000001CB46CF1600, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835234} normal block at 0x000001CB46CF19F0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x000001CB46CF16E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835212} normal block at 0x000001CB46CF1AD0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835201} normal block at 0x000001CB46CF1A60, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835170} normal block at 0x000001CB46D9B620, 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) : {3835157} normal block at 0x000001CB45240120, 8 bytes long.
 Data: <  &#183;F&#203;   > 00 00 B7 46 CB 01 00 00 
{3833945} normal block at 0x000001CB45240490, 8 bytes long.
 Data: <`&#235;1E&#203;   > 60 EB 31 45 CB 01 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000001CB45240750, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001CB4522C980, 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 0x000001CB452362E0, 16 bytes long.
 Data: <&#184; $E&#203;           > B8 1E 24 45 CB 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001CB45236290, 16 bytes long.
 Data: <  $E&#203;           > 90 1E 24 45 CB 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001CB4523C600, 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 0x000001CB45236240, 16 bytes long.
 Data: <h $E&#203;           > 68 1E 24 45 CB 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001CB452365B0, 16 bytes long.
 Data: <@ $E&#203;           > 40 1E 24 45 CB 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001CB45236560, 16 bytes long.
 Data: <  $E&#203;           > 18 1E 24 45 CB 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001CB452361F0, 16 bytes long.
 Data: <&#240; $E&#203;           > F0 1D 24 45 CB 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001CB4523AB80, 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 0x000001CB45235CF0, 16 bytes long.
 Data: <h&#172;"E&#203;           > 68 AC 22 45 CB 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001CB4523BFA0, 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 0x000001CB45236B00, 16 bytes long.
 Data: <@&#172;"E&#203;           > 40 AC 22 45 CB 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001CB45236510, 16 bytes long.
 Data: < &#172;"E&#203;           > 18 AC 22 45 CB 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001CB452361A0, 16 bytes long.
 Data: <&#240;&#171;"E&#203;           > F0 AB 22 45 CB 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001CB45236100, 16 bytes long.
 Data: <&#200;&#171;"E&#203;           > C8 AB 22 45 CB 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001CB45240670, 16 bytes long.
 Data: <&#160;&#171;"E&#203;           > A0 AB 22 45 CB 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001CB452405D0, 16 bytes long.
 Data: <x&#171;"E&#203;           > 78 AB 22 45 CB 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001CB4523BF40, 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 0x000001CB45240440, 16 bytes long.
 Data: <P&#171;"E&#203;           > 50 AB 22 45 CB 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001CB4522AB50, 320 bytes long.
 Data: <@ $E&#203;   @&#191;#E&#203;   > 40 04 24 45 CB 01 00 00 40 BF 23 45 CB 01 00 00 
{268} normal block at 0x000001CB452403A0, 16 bytes long.
 Data: <&#208; $E&#203;           > D0 1D 24 45 CB 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001CB45240580, 16 bytes long.
 Data: <&#168; $E&#203;           > A8 1D 24 45 CB 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001CB4523BE80, 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 0x000001CB45240350, 16 bytes long.
 Data: <  $E&#203;           > 80 1D 24 45 CB 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001CB4523C720, 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 0x000001CB45240260, 16 bytes long.
 Data: <&#200; $E&#203;           > C8 1C 24 45 CB 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001CB452406C0, 16 bytes long.
 Data: <&#160; $E&#203;           > A0 1C 24 45 CB 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001CB45240080, 16 bytes long.
 Data: <x $E&#203;           > 78 1C 24 45 CB 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001CB45240210, 16 bytes long.
 Data: <P $E&#203;           > 50 1C 24 45 CB 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001CB45240620, 16 bytes long.
 Data: <( $E&#203;           > 28 1C 24 45 CB 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001CB452401C0, 16 bytes long.
 Data: <  $E&#203;           > 00 1C 24 45 CB 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001CB452402B0, 16 bytes long.
 Data: <&#176;&#173;#E&#203;           > B0 AD 23 45 CB 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001CB4523ADB0, 40 bytes long.
 Data: <&#176; $E&#203;    &#182;&#217;F&#203;   > B0 02 24 45 CB 01 00 00 20 B6 D9 46 CB 01 00 00 
{254} normal block at 0x000001CB452404E0, 16 bytes long.
 Data: <&#224; $E&#203;           > E0 1B 24 45 CB 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001CB45240030, 16 bytes long.
 Data: <&#184; $E&#203;           > B8 1B 24 45 CB 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001CB4523C960, 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 0x000001CB4523FFE0, 16 bytes long.
 Data: <  $E&#203;           > 90 1B 24 45 CB 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000001CB45241B90, 992 bytes long.
 Data: <&#224;&#255;#E&#203;   `&#201;#E&#203;   > E0 FF 23 45 CB 01 00 00 60 C9 23 45 CB 01 00 00 
{86} normal block at 0x000001CB4523C7E0, 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 0x000001CB45236790, 16 bytes long.
 Data: <&#224;&#168;#E&#203;           > E0 A8 23 45 CB 01 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000001CB4523A8E0, 40 bytes long.
 Data: < g#E&#203;   &#224;&#199;#E&#203;   > 90 67 23 45 CB 01 00 00 E0 C7 23 45 CB 01 00 00 
{63} normal block at 0x000001CB45235E80, 16 bytes long.
 Data: < &#234;&#228;c&#246;           > 80 EA E4 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001CB45235E30, 16 bytes long.
 Data: <@&#233;&#228;c&#246;           > 40 E9 E4 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001CB45236880, 16 bytes long.
 Data: <&#248;W&#225;c&#246;           > F8 57 E1 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001CB45235C50, 16 bytes long.
 Data: <&#216;W&#225;c&#246;           > D8 57 E1 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001CB45235ED0, 16 bytes long.
 Data: <P &#225;c&#246;           > 50 04 E1 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001CB45236470, 16 bytes long.
 Data: <0 &#225;c&#246;           > 30 04 E1 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001CB45236830, 16 bytes long.
 Data: <&#224; &#225;c&#246;           > E0 02 E1 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001CB45235D40, 16 bytes long.
 Data: <  &#225;c&#246;           > 10 04 E1 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001CB45235F20, 16 bytes long.
 Data: <p &#225;c&#246;           > 70 04 E1 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000001CB45236A60, 16 bytes long.
 Data: < &#192;&#223;c&#246;           > 18 C0 DF 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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