Task 38688894

Name test_943-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND4540_0
Workunit 31630191
Created 28 Oct 2026, 16:45:49 UTC
Sent 28 Oct 2026, 16:45:54 UTC
Report deadline 2 Nov 2026, 16:45:54 UTC
Received 28 Oct 2026, 17:22:11 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652400
Run time 17 min 37 sec
CPU time 15 min 41 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,481.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 731.55 MB
Peak swap size 8.49 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:04:24 (2684): wrapper (7.9.26016): starting
18:04:24 (2684): 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
18:04:25 (2684): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:04:25 (2684): 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
18:21:19 (2684): C:/Windows/system32/cmd.exe exited; CPU time 941.015625
18:21:19 (2684): 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: 18651487 bytes.
Dumping objects ->
{3835223} normal block at 0x0000024E4A795D60, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x0000024E4A795C10, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835201} normal block at 0x0000024E4A7960E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835190} normal block at 0x0000024E4A796150, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835179} normal block at 0x0000024E4A795BA0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835148} normal block at 0x0000024E4C51C450, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835137} normal block at 0x0000024E4C57E360, 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) : {3835134} normal block at 0x0000024E4A78EA50, 8 bytes long.
 Data: <  &#207;JN   > 00 00 CF 4A 4E 02 00 00 
{3834541} normal block at 0x0000024E4C57E570, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x0000024E4A78EFF0, 8 bytes long.
 Data: < -_LN   > 10 2D 5F 4C 4E 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000024E4A790CF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000024E4A7881D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x0000024E4A794BE0, 16 bytes long.
 Data: <XZyJN           > 58 5A 79 4A 4E 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000024E4A7952C0, 16 bytes long.
 Data: <0ZyJN           > 30 5A 79 4A 4E 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000024E4A78FB40, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x0000024E4A794E10, 16 bytes long.
 Data: < ZyJN           > 08 5A 79 4A 4E 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000024E4A794870, 16 bytes long.
 Data: <&#224;YyJN           > E0 59 79 4A 4E 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000024E4A794820, 16 bytes long.
 Data: <&#184;YyJN           > B8 59 79 4A 4E 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000024E4A794DC0, 16 bytes long.
 Data: < YyJN           > 90 59 79 4A 4E 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000024E4A796070, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x0000024E4A794F00, 16 bytes long.
 Data: <&#248;&#229;xJN           > F8 E5 78 4A 4E 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000024E4A7905C0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x0000024E4A794B90, 16 bytes long.
 Data: <&#208;&#229;xJN           > D0 E5 78 4A 4E 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000024E4A794640, 16 bytes long.
 Data: <&#168;&#229;xJN           > A8 E5 78 4A 4E 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000024E4A794550, 16 bytes long.
 Data: < &#229;xJN           > 80 E5 78 4A 4E 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000024E4A794460, 16 bytes long.
 Data: <X&#229;xJN           > 58 E5 78 4A 4E 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000024E4A794D70, 16 bytes long.
 Data: <0&#229;xJN           > 30 E5 78 4A 4E 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000024E4A795270, 16 bytes long.
 Data: < &#229;xJN           > 08 E5 78 4A 4E 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000024E4A78FBA0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x0000024E4A794B40, 16 bytes long.
 Data: <&#224;&#228;xJN           > E0 E4 78 4A 4E 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000024E4A78E4E0, 320 bytes long.
 Data: <@KyJN   &#160;&#251;xJN   > 40 4B 79 4A 4E 02 00 00 A0 FB 78 4A 4E 02 00 00 
{275} normal block at 0x0000024E4A794410, 16 bytes long.
 Data: <pYyJN           > 70 59 79 4A 4E 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000024E4A794500, 16 bytes long.
 Data: <HYyJN           > 48 59 79 4A 4E 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000024E4A78FD20, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x0000024E4A794AA0, 16 bytes long.
 Data: < YyJN           > 20 59 79 4A 4E 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000024E4A78FC00, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x0000024E4A795040, 16 bytes long.
 Data: <hXyJN           > 68 58 79 4A 4E 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000024E4A794A50, 16 bytes long.
 Data: <@XyJN           > 40 58 79 4A 4E 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000024E4A794A00, 16 bytes long.
 Data: < XyJN           > 18 58 79 4A 4E 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000024E4A794F50, 16 bytes long.
 Data: <&#240;WyJN           > F0 57 79 4A 4E 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000024E4A794FA0, 16 bytes long.
 Data: <&#200;WyJN           > C8 57 79 4A 4E 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000024E4A794EB0, 16 bytes long.
 Data: <&#160;WyJN           > A0 57 79 4A 4E 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000024E4A7949B0, 16 bytes long.
 Data: <P&#224;wJN           > 50 E0 77 4A 4E 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000024E4A77E050, 40 bytes long.
 Data: <&#176;IyJN   P&#196;QLN   > B0 49 79 4A 4E 02 00 00 50 C4 51 4C 4E 02 00 00 
{261} normal block at 0x0000024E4A794AF0, 16 bytes long.
 Data: < WyJN           > 80 57 79 4A 4E 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000024E4A794D20, 16 bytes long.
 Data: <XWyJN           > 58 57 79 4A 4E 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000024E4A78FAE0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x0000024E4A7947D0, 16 bytes long.
 Data: <0WyJN           > 30 57 79 4A 4E 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000024E4A795730, 992 bytes long.
 Data: <&#208;GyJN   &#224;&#250;xJN   > D0 47 79 4A 4E 02 00 00 E0 FA 78 4A 4E 02 00 00 
{93} normal block at 0x0000024E4A7903E0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x0000024E4A78F040, 16 bytes long.
 Data: <&#208;&#198;wJN           > D0 C6 77 4A 4E 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000024E4A77C6D0, 40 bytes long.
 Data: <@&#240;xJN   &#224; yJN   > 40 F0 78 4A 4E 02 00 00 E0 03 79 4A 4E 02 00 00 
{70} normal block at 0x0000024E4A78ED20, 16 bytes long.
 Data: < &#234;&#205;k&#247;           > 80 EA CD 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000024E4A78EBE0, 16 bytes long.
 Data: <@&#233;&#205;k&#247;           > 40 E9 CD 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000024E4A78F360, 16 bytes long.
 Data: <&#248;W&#202;k&#247;           > F8 57 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000024E4A78F5E0, 16 bytes long.
 Data: <&#216;W&#202;k&#247;           > D8 57 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000024E4A78F310, 16 bytes long.
 Data: <P &#202;k&#247;           > 50 04 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000024E4A78EFA0, 16 bytes long.
 Data: <0 &#202;k&#247;           > 30 04 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000024E4A78E910, 16 bytes long.
 Data: <&#224; &#202;k&#247;           > E0 02 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000024E4A78EC30, 16 bytes long.
 Data: <  &#202;k&#247;           > 10 04 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000024E4A78EF00, 16 bytes long.
 Data: <p &#202;k&#247;           > 70 04 CA 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000024E4A78F590, 16 bytes long.
 Data: < &#192;&#200;k&#247;           > 18 C0 C8 6B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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