Task 38683453

Name test_871-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND6506_0
Workunit 31625009
Created 27 Oct 2026, 11:52:26 UTC
Sent 27 Oct 2026, 11:52:32 UTC
Report deadline 1 Nov 2026, 11:52:32 UTC
Received 27 Oct 2026, 12:52:37 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648332
Run time 23 min 47 sec
CPU time 22 min 37 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 23,707.18 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 730.35 MB
Peak swap size 8.40 GB
Peak disk usage 3.41 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:27:48 (24160): wrapper (7.9.26016): starting
08:27:48 (24160): 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
08:27:49 (24160): Library/usr/bin/tar.exe exited; CPU time 0.015625
08:27:49 (24160): 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
08:50:51 (24160): C:/Windows/system32/cmd.exe exited; CPU time 1357.250000
08:50:51 (24160): 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: 29382817 bytes.
Dumping objects ->
{3835219} normal block at 0x000002263C696150, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835208} normal block at 0x000002263C696000, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835197} normal block at 0x000002263C695F90, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835186} normal block at 0x000002263C695F20, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835175} normal block at 0x000002263C695EB0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835144} normal block at 0x000002263E437440, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835133} normal block at 0x000002263E44FCB0, 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) : {3835130} normal block at 0x000002263C690040, 8 bytes long.
 Data: <  .>&   > 00 00 2E 3E 26 02 00 00 
{3834528} normal block at 0x000002263E44F3C0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x000002263C68FB40, 8 bytes long.
 Data: < VI>&   > 20 56 49 3E 26 02 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x000002263C6919D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002263C6877F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x000002263C697100, 16 bytes long.
 Data: <(vi<&           > 28 76 69 3C 26 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002263C696430, 16 bytes long.
 Data: < vi<&           > 00 76 69 3C 26 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002263C690B00, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x000002263C6963E0, 16 bytes long.
 Data: <&#216;ui<&           > D8 75 69 3C 26 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002263C696390, 16 bytes long.
 Data: <&#176;ui<&           > B0 75 69 3C 26 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002263C697010, 16 bytes long.
 Data: < ui<&           > 88 75 69 3C 26 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002263C696F70, 16 bytes long.
 Data: <`ui<&           > 60 75 69 3C 26 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002263C695C10, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x000002263C696A20, 16 bytes long.
 Data: <X&#242;h<&           > 58 F2 68 3C 26 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002263C6910A0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x000002263C696C00, 16 bytes long.
 Data: <0&#242;h<&           > 30 F2 68 3C 26 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002263C696BB0, 16 bytes long.
 Data: < &#242;h<&           > 08 F2 68 3C 26 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002263C696930, 16 bytes long.
 Data: <&#224;&#241;h<&           > E0 F1 68 3C 26 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002263C696B10, 16 bytes long.
 Data: <&#184;&#241;h<&           > B8 F1 68 3C 26 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002263C696890, 16 bytes long.
 Data: < &#241;h<&           > 90 F1 68 3C 26 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002263C696D40, 16 bytes long.
 Data: <h&#241;h<&           > 68 F1 68 3C 26 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002263C690380, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x000002263C697240, 16 bytes long.
 Data: <@&#241;h<&           > 40 F1 68 3C 26 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002263C68F140, 320 bytes long.
 Data: <@ri<&     i<&   > 40 72 69 3C 26 02 00 00 80 03 69 3C 26 02 00 00 
{269} normal block at 0x000002263C696700, 16 bytes long.
 Data: <@ui<&           > 40 75 69 3C 26 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002263C6966B0, 16 bytes long.
 Data: < ui<&           > 18 75 69 3C 26 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002263C690E00, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x000002263C697290, 16 bytes long.
 Data: <&#240;ti<&           > F0 74 69 3C 26 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002263C691280, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x000002263C6969D0, 16 bytes long.
 Data: <8ti<&           > 38 74 69 3C 26 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002263C696F20, 16 bytes long.
 Data: < ti<&           > 10 74 69 3C 26 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002263C696FC0, 16 bytes long.
 Data: <&#232;si<&           > E8 73 69 3C 26 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002263C6967A0, 16 bytes long.
 Data: <&#192;si<&           > C0 73 69 3C 26 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002263C696840, 16 bytes long.
 Data: < si<&           > 98 73 69 3C 26 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002263C696ED0, 16 bytes long.
 Data: <psi<&           > 70 73 69 3C 26 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002263C696340, 16 bytes long.
 Data: <0[i<&           > 30 5B 69 3C 26 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002263C695B30, 40 bytes long.
 Data: <@ci<&   @tC>&   > 40 63 69 3C 26 02 00 00 40 74 43 3E 26 02 00 00 
{255} normal block at 0x000002263C696E80, 16 bytes long.
 Data: <Psi<&           > 50 73 69 3C 26 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002263C6965C0, 16 bytes long.
 Data: <(si<&           > 28 73 69 3C 26 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000002263C690D40, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x000002263C696AC0, 16 bytes long.
 Data: < si<&           > 00 73 69 3C 26 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000002263C697300, 992 bytes long.
 Data: <&#192;ji<&   @ i<&   > C0 6A 69 3C 26 02 00 00 40 0D 69 3C 26 02 00 00 
{87} normal block at 0x000002263C691100, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x000002263C68F910, 16 bytes long.
 Data: <0&#210;g<&           > 30 D2 67 3C 26 02 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x000002263C67D230, 40 bytes long.
 Data: < &#249;h<&     i<&   > 10 F9 68 3C 26 02 00 00 00 11 69 3C 26 02 00 00 
{64} normal block at 0x000002263C690270, 16 bytes long.
 Data: < &#234;J &#246;           > 80 EA 4A 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002263C68FB90, 16 bytes long.
 Data: <@&#233;J &#246;           > 40 E9 4A 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002263C68FF50, 16 bytes long.
 Data: <&#248;WG &#246;           > F8 57 47 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002263C68F7D0, 16 bytes long.
 Data: <&#216;WG &#246;           > D8 57 47 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002263C690130, 16 bytes long.
 Data: <P G &#246;           > 50 04 47 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002263C68F550, 16 bytes long.
 Data: <0 G &#246;           > 30 04 47 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002263C68FDC0, 16 bytes long.
 Data: <&#224; G &#246;           > E0 02 47 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002263C68F640, 16 bytes long.
 Data: <  G &#246;           > 10 04 47 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002263C68F730, 16 bytes long.
 Data: <p G &#246;           > 70 04 47 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000002263C68FF00, 16 bytes long.
 Data: < &#192;E &#246;           > 18 C0 45 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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