Task 38676880

Name test_882-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND9604_1
Workunit 31618723
Created 26 Oct 2026, 12:36:43 UTC
Sent 26 Oct 2026, 12:36:48 UTC
Report deadline 31 Oct 2026, 12:36:48 UTC
Received 26 Oct 2026, 13:05:21 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 610687
Run time 21 min 3 sec
CPU time 19 min 42 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 32,259.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 755.53 MB
Peak swap size 12.96 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
14:44:48 (37576): wrapper (7.9.26016): starting
14:44:48 (37576): 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
14:44:50 (37576): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:44:50 (37576): 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\8\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\8\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
15:05:04 (37576): C:/Windows/system32/cmd.exe exited; CPU time 1182.843750
15:05:04 (37576): 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: 25797423 bytes.
Dumping objects ->
{3835275} normal block at 0x000002185DF87840, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835264} normal block at 0x000002185C263C90, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835253} normal block at 0x000002185C2641D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835242} normal block at 0x000002185C264160, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835231} normal block at 0x000002185C263DE0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835200} normal block at 0x000002185E0C86F0, 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) : {3835187} normal block at 0x000002185C25D910, 8 bytes long.
 Data: <  &#134;\    > 00 00 86 5C 18 02 00 00 
{3833939} normal block at 0x000002185C25E680, 8 bytes long.
 Data: <`&#138;(\    > 60 8A 28 5C 18 02 00 00 
..\zip\boinc_zip.cpp(122) : {301} normal block at 0x000002185C25E880, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002185C255680, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{285} normal block at 0x000002185C265320, 16 bytes long.
 Data: <&#200;H&\            > C8 48 26 5C 18 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002185C264C40, 16 bytes long.
 Data: <&#160;H&\            > A0 48 26 5C 18 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002185C262FE0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{282} normal block at 0x000002185C264FB0, 16 bytes long.
 Data: <xH&\            > 78 48 26 5C 18 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002185C264A10, 16 bytes long.
 Data: <PH&\            > 50 48 26 5C 18 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002185C264E70, 16 bytes long.
 Data: <(H&\            > 28 48 26 5C 18 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002185C265550, 16 bytes long.
 Data: < H&\            > 00 48 26 5C 18 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002185C263EC0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{277} normal block at 0x000002185C265370, 16 bytes long.
 Data: < D&\            > 88 44 26 5C 18 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002185C262800, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{275} normal block at 0x000002185C264BF0, 16 bytes long.
 Data: <`D&\            > 60 44 26 5C 18 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002185C265910, 16 bytes long.
 Data: <8D&\            > 38 44 26 5C 18 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002185C2653C0, 16 bytes long.
 Data: < D&\            > 10 44 26 5C 18 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002185C264C90, 16 bytes long.
 Data: <&#232;C&\            > E8 43 26 5C 18 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002185C2652D0, 16 bytes long.
 Data: <&#192;C&\            > C0 43 26 5C 18 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002185C2655A0, 16 bytes long.
 Data: < C&\            > 98 43 26 5C 18 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002185C263100, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{267} normal block at 0x000002185C264EC0, 16 bytes long.
 Data: <pC&\            > 70 43 26 5C 18 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002185C264370, 320 bytes long.
 Data: <&#192;N&\     1&\    > C0 4E 26 5C 18 02 00 00 00 31 26 5C 18 02 00 00 
{265} normal block at 0x000002185C265460, 16 bytes long.
 Data: <&#224;G&\            > E0 47 26 5C 18 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002185C2651E0, 16 bytes long.
 Data: <&#184;G&\            > B8 47 26 5C 18 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002185C262AA0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{262} normal block at 0x000002185C2658C0, 16 bytes long.
 Data: < G&\            > 90 47 26 5C 18 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002185C2633A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{260} normal block at 0x000002185C264BA0, 16 bytes long.
 Data: <&#216;F&\            > D8 46 26 5C 18 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002185C265960, 16 bytes long.
 Data: <&#176;F&\            > B0 46 26 5C 18 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002185C265230, 16 bytes long.
 Data: < F&\            > 88 46 26 5C 18 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002185C264B50, 16 bytes long.
 Data: <`F&\            > 60 46 26 5C 18 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002185C265280, 16 bytes long.
 Data: <8F&\            > 38 46 26 5C 18 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002185C25DFF0, 16 bytes long.
 Data: < F&\            > 10 46 26 5C 18 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000002185C25DF50, 16 bytes long.
 Data: <P>&\            > 50 3E 26 5C 18 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000002185C263E50, 40 bytes long.
 Data: <P&#223;%\    &#240;&#134; ^    > 50 DF 25 5C 18 02 00 00 F0 86 0C 5E 18 02 00 00 
{251} normal block at 0x000002185C25DF00, 16 bytes long.
 Data: <&#240;E&\            > F0 45 26 5C 18 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000002185C25DEB0, 16 bytes long.
 Data: <&#200;E&\            > C8 45 26 5C 18 02 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x000002185C263220, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{248} normal block at 0x000002185C25DDC0, 16 bytes long.
 Data: <&#160;E&\            > A0 45 26 5C 18 02 00 00 00 00 00 00 00 00 00 00 
{247} normal block at 0x000002185C2645A0, 992 bytes long.
 Data: <&#192;&#221;%\     2&\    > C0 DD 25 5C 18 02 00 00 20 32 26 5C 18 02 00 00 
{83} normal block at 0x000002185C24FCC0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{82} normal block at 0x000002185C25E090, 16 bytes long.
 Data: < &#239;$\            > 20 EF 24 5C 18 02 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x000002185C24EF20, 40 bytes long.
 Data: < &#224;%\    &#192;&#252;$\    > 90 E0 25 5C 18 02 00 00 C0 FC 24 5C 18 02 00 00 
{60} normal block at 0x000002185C25E4F0, 16 bytes long.
 Data: < &#234;00&#247;           > 80 EA 30 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002185C25E4A0, 16 bytes long.
 Data: <@&#233;00&#247;           > 40 E9 30 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002185C25E040, 16 bytes long.
 Data: <&#248;W-0&#247;           > F8 57 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002185C25E630, 16 bytes long.
 Data: <&#216;W-0&#247;           > D8 57 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002185C25DD70, 16 bytes long.
 Data: <P -0&#247;           > 50 04 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000002185C25E400, 16 bytes long.
 Data: <0 -0&#247;           > 30 04 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000002185C25D9B0, 16 bytes long.
 Data: <&#224; -0&#247;           > E0 02 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x000002185C25E7C0, 16 bytes long.
 Data: <  -0&#247;           > 10 04 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{52} normal block at 0x000002185C25E450, 16 bytes long.
 Data: <p -0&#247;           > 70 04 2D 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
{51} normal block at 0x000002185C25DE10, 16 bytes long.
 Data: < &#192;+0&#247;           > 18 C0 2B 30 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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