Task 38683113

Name test_107-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND5431_0
Workunit 31624692
Created 27 Oct 2026, 10:29:09 UTC
Sent 27 Oct 2026, 10:29:16 UTC
Report deadline 1 Nov 2026, 10:29:16 UTC
Received 27 Oct 2026, 12:27:41 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 623758
Run time 35 min 42 sec
CPU time 33 min 18 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 20,847.14 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 709.84 MB
Peak swap size 6.91 GB
Peak disk usage 3.93 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
06:53:33 (9436): wrapper (7.9.26016): starting
06:53:33 (9436): 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
06:53:35 (9436): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:53:35 (9436): 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
07:27:22 (9436): C:/Windows/system32/cmd.exe exited; CPU time 1998.593750
07:27:22 (9436): 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: 27921467 bytes.
Dumping objects ->
{3835234} normal block at 0x0000019E2A3BDB20, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x0000019E28694AB0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x0000019E286949D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835201} normal block at 0x0000019E28694880, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835190} normal block at 0x0000019E28694A40, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835159} normal block at 0x0000019E2A408680, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835148} normal block at 0x0000019E2A41F0D0, 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) : {3835145} normal block at 0x0000019E2868F590, 8 bytes long.
 Data: <  &#188;(&#158;   > 00 00 BC 28 9E 01 00 00 
{3834542} normal block at 0x0000019E2A41E680, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x0000019E2868EAA0, 8 bytes long.
 Data: < IF*&#158;   > 90 49 46 2A 9E 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000019E28690A20, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000019E28685DB0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x0000019E28695B40, 16 bytes long.
 Data: <&#184;ei(&#158;           > B8 65 69 28 9E 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000019E28696180, 16 bytes long.
 Data: < ei(&#158;           > 90 65 69 28 9E 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000019E28690390, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x0000019E28695FF0, 16 bytes long.
 Data: <hei(&#158;           > 68 65 69 28 9E 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000019E28695DC0, 16 bytes long.
 Data: <@ei(&#158;           > 40 65 69 28 9E 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000019E286959B0, 16 bytes long.
 Data: < ei(&#158;           > 18 65 69 28 9E 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000019E28695F50, 16 bytes long.
 Data: <&#240;di(&#158;           > F0 64 69 28 9E 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000019E28694DC0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x0000019E28695690, 16 bytes long.
 Data: <(&#239;g(&#158;           > 28 EF 67 28 9E 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000019E2868F850, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x0000019E28695550, 16 bytes long.
 Data: < &#239;g(&#158;           > 00 EF 67 28 9E 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000019E28695B90, 16 bytes long.
 Data: <&#216;&#238;g(&#158;           > D8 EE 67 28 9E 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000019E28695A50, 16 bytes long.
 Data: <&#176;&#238;g(&#158;           > B0 EE 67 28 9E 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000019E28695AF0, 16 bytes long.
 Data: < &#238;g(&#158;           > 88 EE 67 28 9E 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000019E28695C80, 16 bytes long.
 Data: <`&#238;g(&#158;           > 60 EE 67 28 9E 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000019E286956E0, 16 bytes long.
 Data: <8&#238;g(&#158;           > 38 EE 67 28 9E 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000019E2868F7F0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x0000019E28695460, 16 bytes long.
 Data: < &#238;g(&#158;           > 10 EE 67 28 9E 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000019E2867EE10, 320 bytes long.
 Data: <`Ti(&#158;   &#240;&#247;h(&#158;   > 60 54 69 28 9E 01 00 00 F0 F7 68 28 9E 01 00 00 
{276} normal block at 0x0000019E286954B0, 16 bytes long.
 Data: <&#208;di(&#158;           > D0 64 69 28 9E 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000019E286955F0, 16 bytes long.
 Data: <&#168;di(&#158;           > A8 64 69 28 9E 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000019E2868FBB0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x0000019E286952D0, 16 bytes long.
 Data: < di(&#158;           > 80 64 69 28 9E 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000019E2868FCD0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x0000019E28696090, 16 bytes long.
 Data: <&#200;ci(&#158;           > C8 63 69 28 9E 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000019E286955A0, 16 bytes long.
 Data: <&#160;ci(&#158;           > A0 63 69 28 9E 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000019E28695640, 16 bytes long.
 Data: <xci(&#158;           > 78 63 69 28 9E 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000019E28695960, 16 bytes long.
 Data: <Pci(&#158;           > 50 63 69 28 9E 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000019E28695500, 16 bytes long.
 Data: <(ci(&#158;           > 28 63 69 28 9E 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000019E28695BE0, 16 bytes long.
 Data: < ci(&#158;           > 00 63 69 28 9E 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000019E286957D0, 16 bytes long.
 Data: <&#224;Li(&#158;           > E0 4C 69 28 9E 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000019E28694CE0, 40 bytes long.
 Data: <&#208;Wi(&#158;    &#134;@*&#158;   > D0 57 69 28 9E 01 00 00 80 86 40 2A 9E 01 00 00 
{262} normal block at 0x0000019E28695910, 16 bytes long.
 Data: <&#224;bi(&#158;           > E0 62 69 28 9E 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000019E28695780, 16 bytes long.
 Data: <&#184;bi(&#158;           > B8 62 69 28 9E 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000019E2868F9D0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x0000019E28695EB0, 16 bytes long.
 Data: < bi(&#158;           > 90 62 69 28 9E 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000019E28696290, 992 bytes long.
 Data: <&#176;^i(&#158;   &#208;&#249;h(&#158;   > B0 5E 69 28 9E 01 00 00 D0 F9 68 28 9E 01 00 00 
{94} normal block at 0x0000019E28690090, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x0000019E2868F2C0, 16 bytes long.
 Data: < &#212;g(&#158;           > 10 D4 67 28 9E 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000019E2867D410, 40 bytes long.
 Data: <&#192;&#242;h(&#158;     i(&#158;   > C0 F2 68 28 9E 01 00 00 90 00 69 28 9E 01 00 00 
{71} normal block at 0x0000019E2868EA50, 16 bytes long.
 Data: < &#234;} &#247;           > 80 EA 7D 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000019E2868F3B0, 16 bytes long.
 Data: <@&#233;} &#247;           > 40 E9 7D 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000019E2868E7D0, 16 bytes long.
 Data: <&#248;Wz &#247;           > F8 57 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000019E2868EA00, 16 bytes long.
 Data: <&#216;Wz &#247;           > D8 57 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000019E2868F220, 16 bytes long.
 Data: <P z &#247;           > 50 04 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000019E2868E9B0, 16 bytes long.
 Data: <0 z &#247;           > 30 04 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000019E2868F180, 16 bytes long.
 Data: <&#224; z &#247;           > E0 02 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000019E2868F090, 16 bytes long.
 Data: <  z &#247;           > 10 04 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000019E2868F360, 16 bytes long.
 Data: <p z &#247;           > 70 04 7A 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000019E2868E960, 16 bytes long.
 Data: < &#192;x &#247;           > 18 C0 78 1E F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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