Task 38677925

Name test_311-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND8266_0
Workunit 31619775
Created 26 Oct 2026, 15:50:07 UTC
Sent 26 Oct 2026, 15:50:12 UTC
Report deadline 31 Oct 2026, 15:50:12 UTC
Received 26 Oct 2026, 17:21:35 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654845
Run time 26 min 10 sec
CPU time 19 min 56 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 32,075.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 729.33 MB
Peak swap size 1.67 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:55:11 (688): wrapper (7.9.26016): starting
18:55:11 (688): 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
18:55:13 (688): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:55:13 (688): 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 'D:\ProgramData\BOINC\slots\1\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 'D:\ProgramData\BOINC\slots\1\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
19:19:27 (688): C:/Windows/system32/cmd.exe exited; CPU time 1196.218750
19:19:27 (688): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 17843765 bytes.
Dumping objects ->
{3835468} normal block at 0x0000016F0686CDB0, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835457} normal block at 0x0000016F0686C2C0, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835446} normal block at 0x0000016F0686C480, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835435} normal block at 0x0000016F04D9AE70, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835424} normal block at 0x0000016F04D9AE00, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835393} normal block at 0x0000016F068B1F90, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835382} normal block at 0x0000016F04E6D160, 160 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) : {3835379} normal block at 0x0000016F04D96620, 8 bytes long.
 Data: <  g o   > 00 00 67 06 6F 01 00 00 
{3834658} normal block at 0x0000016F04E6CDE0, 160 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 0x0000016F04D961C0, 8 bytes long.
 Data: <  &#145; o   > 10 07 91 06 6F 01 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x0000016F04D9F9E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000016F04D85B30, 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 0x0000016F04DA1240, 16 bytes long.
 Data: <&#232;.&#218; o           > E8 2E DA 04 6F 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000016F04DA0A70, 16 bytes long.
 Data: <&#192;.&#218; o           > C0 2E DA 04 6F 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000016F04D9CA30, 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 0x0000016F04DA0D40, 16 bytes long.
 Data: < .&#218; o           > 98 2E DA 04 6F 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000016F04DA08E0, 16 bytes long.
 Data: <p.&#218; o           > 70 2E DA 04 6F 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000016F04DA0C00, 16 bytes long.
 Data: <H.&#218; o           > 48 2E DA 04 6F 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000016F04DA11F0, 16 bytes long.
 Data: < .&#218; o           > 20 2E DA 04 6F 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000016F04D9B180, 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 0x0000016F04DA12E0, 16 bytes long.
 Data: <&#200;Z&#216; o           > C8 5A D8 04 6F 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000016F04D9C550, 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 0x0000016F04DA0930, 16 bytes long.
 Data: <&#160;Z&#216; o           > A0 5A D8 04 6F 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000016F04DA0890, 16 bytes long.
 Data: <xZ&#216; o           > 78 5A D8 04 6F 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000016F04DA0F20, 16 bytes long.
 Data: <PZ&#216; o           > 50 5A D8 04 6F 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000016F04DA0BB0, 16 bytes long.
 Data: <(Z&#216; o           > 28 5A D8 04 6F 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000016F04DA07F0, 16 bytes long.
 Data: < Z&#216; o           > 00 5A D8 04 6F 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000016F04DA1010, 16 bytes long.
 Data: <&#216;Y&#216; o           > D8 59 D8 04 6F 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000016F04D9BF50, 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 0x0000016F04DA1650, 16 bytes long.
 Data: <&#176;Y&#216; o           > B0 59 D8 04 6F 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000016F04D859B0, 320 bytes long.
 Data: <P &#218; o   P&#191;&#217; o   > 50 16 DA 04 6F 01 00 00 50 BF D9 04 6F 01 00 00 
{269} normal block at 0x0000016F04DA0CF0, 16 bytes long.
 Data: < .&#218; o           > 00 2E DA 04 6F 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000016F04DA11A0, 16 bytes long.
 Data: <&#216;-&#218; o           > D8 2D DA 04 6F 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000016F04D9BE90, 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 0x0000016F04DA0A20, 16 bytes long.
 Data: <&#176;-&#218; o           > B0 2D DA 04 6F 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000016F04D9C1F0, 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 0x0000016F04DA0840, 16 bytes long.
 Data: <&#248;,&#218; o           > F8 2C DA 04 6F 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000016F04DA1420, 16 bytes long.
 Data: <&#208;,&#218; o           > D0 2C DA 04 6F 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000016F04DA0FC0, 16 bytes long.
 Data: <&#168;,&#218; o           > A8 2C DA 04 6F 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000016F04DA0B10, 16 bytes long.
 Data: < ,&#218; o           > 80 2C DA 04 6F 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000016F04DA0AC0, 16 bytes long.
 Data: <X,&#218; o           > 58 2C DA 04 6F 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000016F04DA1740, 16 bytes long.
 Data: <0,&#218; o           > 30 2C DA 04 6F 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000016F04DA1330, 16 bytes long.
 Data: < &#177;&#217; o           > 10 B1 D9 04 6F 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000016F04D9B110, 40 bytes long.
 Data: <0 &#218; o     &#139; o   > 30 13 DA 04 6F 01 00 00 90 1F 8B 06 6F 01 00 00 
{255} normal block at 0x0000016F04DA0B60, 16 bytes long.
 Data: < ,&#218; o           > 10 2C DA 04 6F 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000016F04DA0C50, 16 bytes long.
 Data: <&#232;+&#218; o           > E8 2B DA 04 6F 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000016F04D9C370, 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 0x0000016F04DA0E30, 16 bytes long.
 Data: <&#192;+&#218; o           > C0 2B DA 04 6F 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000016F04DA2BC0, 992 bytes long.
 Data: <0 &#218; o   p&#195;&#217; o   > 30 0E DA 04 6F 01 00 00 70 C3 D9 04 6F 01 00 00 
{87} normal block at 0x0000016F04D9CA90, 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 0x0000016F04D96170, 16 bytes long.
 Data: <0&#176;&#217; o           > 30 B0 D9 04 6F 01 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x0000016F04D9B030, 40 bytes long.
 Data: <pa&#217; o    &#202;&#217; o   > 70 61 D9 04 6F 01 00 00 90 CA D9 04 6F 01 00 00 
{64} normal block at 0x0000016F04D96030, 16 bytes long.
 Data: < &#234;3&#174;&#247;           > 80 EA 33 AE F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000016F04D96AD0, 16 bytes long.
 Data: <@&#233;3&#174;&#247;           > 40 E9 33 AE F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000016F04D95E50, 16 bytes long.
 Data: <&#248;W0&#174;&#247;           > F8 57 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000016F04D96A80, 16 bytes long.
 Data: <&#216;W0&#174;&#247;           > D8 57 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000016F04D96800, 16 bytes long.
 Data: <P 0&#174;&#247;           > 50 04 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000016F04D96580, 16 bytes long.
 Data: <0 0&#174;&#247;           > 30 04 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000016F04D95D60, 16 bytes long.
 Data: <&#224; 0&#174;&#247;           > E0 02 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000016F04D96260, 16 bytes long.
 Data: <  0&#174;&#247;           > 10 04 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000016F04D96300, 16 bytes long.
 Data: <p 0&#174;&#247;           > 70 04 30 AE F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000016F04D96CB0, 16 bytes long.
 Data: < &#192;.&#174;&#247;           > 18 C0 2E AE F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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