Task 38684631

Name test_892-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND4337_0
Workunit 31626139
Created 27 Oct 2026, 17:15:00 UTC
Sent 27 Oct 2026, 17:15:02 UTC
Report deadline 1 Nov 2026, 17:15:02 UTC
Received 27 Oct 2026, 20:47:04 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 583488
Run time 1 hours 46 min 45 sec
CPU time 1 hours 33 min 37 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 22,490.66 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 718.75 MB
Peak swap size 12.96 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
15:01:19 (21612): wrapper (7.9.26016): starting
15:01:19 (21612): 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
15:01:25 (21612): Library/usr/bin/tar.exe exited; CPU time 0.046875
15:01:25 (21612): 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\BOINC2\slots\6\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\BOINC2\slots\6\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
16:46:28 (21612): C:/Windows/system32/cmd.exe exited; CPU time 5617.171875
16:46:28 (21612): 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: 128272425 bytes.
Dumping objects ->
{3835347} normal block at 0x0000028A7749A350, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835336} normal block at 0x0000028A7749AC10, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835325} normal block at 0x0000028A7749ABA0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835314} normal block at 0x0000028A7574BD30, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835303} normal block at 0x0000028A7574BCC0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835272} normal block at 0x0000028A7743C100, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835261} normal block at 0x0000028A7749DC00, 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) : {3835258} normal block at 0x0000028A75746AF0, 8 bytes long.
 Data: <  pu&#138;   > 00 00 70 75 8A 02 00 00 
{3834590} normal block at 0x0000028A7749E180, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833949} normal block at 0x0000028A757475E0, 8 bytes long.
 Data: <&#224;&#135;Mw&#138;   > E0 87 4D 77 8A 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x0000028A75750720, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000028A75735DA0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x0000028A75751760, 16 bytes long.
 Data: <(<uu&#138;           > 28 3C 75 75 8A 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000028A757518A0, 16 bytes long.
 Data: < <uu&#138;           > 00 3C 75 75 8A 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000028A7574D090, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x0000028A75751FD0, 16 bytes long.
 Data: <&#216;;uu&#138;           > D8 3B 75 75 8A 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000028A75752430, 16 bytes long.
 Data: <&#176;;uu&#138;           > B0 3B 75 75 8A 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000028A75751710, 16 bytes long.
 Data: < ;uu&#138;           > 88 3B 75 75 8A 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000028A75751DA0, 16 bytes long.
 Data: <`;uu&#138;           > 60 3B 75 75 8A 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000028A7574BB70, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x0000028A75751A30, 16 bytes long.
 Data: <8]su&#138;           > 38 5D 73 75 8A 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000028A7574DC30, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x0000028A757523E0, 16 bytes long.
 Data: < ]su&#138;           > 10 5D 73 75 8A 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000028A757516C0, 16 bytes long.
 Data: <&#232;\su&#138;           > E8 5C 73 75 8A 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000028A75751620, 16 bytes long.
 Data: <&#192;\su&#138;           > C0 5C 73 75 8A 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000028A75751990, 16 bytes long.
 Data: < \su&#138;           > 98 5C 73 75 8A 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000028A75751AD0, 16 bytes long.
 Data: <p\su&#138;           > 70 5C 73 75 8A 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000028A757520C0, 16 bytes long.
 Data: <H\su&#138;           > 48 5C 73 75 8A 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000028A7574D270, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x0000028A757515D0, 16 bytes long.
 Data: < \su&#138;           > 20 5C 73 75 8A 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000028A75735C20, 320 bytes long.
 Data: <&#208; uu&#138;   p&#210;tu&#138;   > D0 15 75 75 8A 02 00 00 70 D2 74 75 8A 02 00 00 
{270} normal block at 0x0000028A75752390, 16 bytes long.
 Data: <@;uu&#138;           > 40 3B 75 75 8A 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000028A75752340, 16 bytes long.
 Data: < ;uu&#138;           > 18 3B 75 75 8A 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000028A7574D870, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x0000028A75751C10, 16 bytes long.
 Data: <&#240;:uu&#138;           > F0 3A 75 75 8A 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000028A7574DBD0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x0000028A75751BC0, 16 bytes long.
 Data: <8:uu&#138;           > 38 3A 75 75 8A 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000028A757522F0, 16 bytes long.
 Data: < :uu&#138;           > 10 3A 75 75 8A 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000028A75751C60, 16 bytes long.
 Data: <&#232;9uu&#138;           > E8 39 75 75 8A 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000028A757522A0, 16 bytes long.
 Data: <&#192;9uu&#138;           > C0 39 75 75 8A 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000028A75751D50, 16 bytes long.
 Data: < 9uu&#138;           > 98 39 75 75 8A 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000028A75751580, 16 bytes long.
 Data: <p9uu&#138;           > 70 39 75 75 8A 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000028A75752070, 16 bytes long.
 Data: < &#190;tu&#138;           > 10 BE 74 75 8A 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000028A7574BE10, 40 bytes long.
 Data: <p uu&#138;    &#193;Cw&#138;   > 70 20 75 75 8A 02 00 00 00 C1 43 77 8A 02 00 00 
{256} normal block at 0x0000028A757519E0, 16 bytes long.
 Data: <P9uu&#138;           > 50 39 75 75 8A 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000028A75752160, 16 bytes long.
 Data: <(9uu&#138;           > 28 39 75 75 8A 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000028A7574D7B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x0000028A75751670, 16 bytes long.
 Data: < 9uu&#138;           > 00 39 75 75 8A 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000028A75753900, 992 bytes long.
 Data: <p uu&#138;   &#176;&#215;tu&#138;   > 70 16 75 75 8A 02 00 00 B0 D7 74 75 8A 02 00 00 
{88} normal block at 0x0000028A7574D750, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x0000028A75746690, 16 bytes long.
 Data: <`&#184;tu&#138;           > 60 B8 74 75 8A 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x0000028A7574B860, 40 bytes long.
 Data: < ftu&#138;   P&#215;tu&#138;   > 90 66 74 75 8A 02 00 00 50 D7 74 75 8A 02 00 00 
{65} normal block at 0x0000028A75746EB0, 16 bytes long.
 Data: < &#234;F &#247;           > 80 EA 46 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000028A75747450, 16 bytes long.
 Data: <@&#233;F &#247;           > 40 E9 46 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000028A75746FA0, 16 bytes long.
 Data: <&#248;WC &#247;           > F8 57 43 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000028A75747400, 16 bytes long.
 Data: <&#216;WC &#247;           > D8 57 43 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000028A75747310, 16 bytes long.
 Data: <P C &#247;           > 50 04 43 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000028A757472C0, 16 bytes long.
 Data: <0 C &#247;           > 30 04 43 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000028A75746FF0, 16 bytes long.
 Data: <&#224; C &#247;           > E0 02 43 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000028A75746AA0, 16 bytes long.
 Data: <  C &#247;           > 10 04 43 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000028A75747090, 16 bytes long.
 Data: <p C &#247;           > 70 04 43 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000028A75746F00, 16 bytes long.
 Data: < &#192;A &#247;           > 18 C0 41 05 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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