Task 38685916

Name test_225-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND6833_0
Workunit 31627369
Created 27 Oct 2026, 23:39:40 UTC
Sent 27 Oct 2026, 23:39:46 UTC
Report deadline 1 Nov 2026, 23:39:46 UTC
Received 27 Oct 2026, 23:58:47 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 649098
Run time 18 min 32 sec
CPU time 15 min 55 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 91,065.39 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 747.60 MB
Peak swap size 19.21 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
00:40:49 (20752): wrapper (7.9.26016): starting
00:40:49 (20752): 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
00:40:50 (20752): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:40:50 (20752): 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\9\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\9\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
00:58:35 (20752): C:/Windows/system32/cmd.exe exited; CPU time 955.390625
00:58:35 (20752): 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: 19419357 bytes.
Dumping objects ->
{3835248} normal block at 0x00000194682733A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835237} normal block at 0x00000194662A4D30, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x00000194662A4CC0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835215} normal block at 0x00000194662A4E80, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835204} normal block at 0x00000194662A4C50, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835173} normal block at 0x00000194681E8F80, 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) : {3835160} normal block at 0x00000194662A0270, 8 bytes long.
 Data: <   f&#148;   > 00 00 81 66 94 01 00 00 
{3833957} normal block at 0x000001946629FB40, 8 bytes long.
 Data: < &#215;(f&#148;   > 80 D7 28 66 94 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000194662A1230, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001946628EE00, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x00000194662A6340, 16 bytes long.
 Data: <xU*f&#148;           > 78 55 2A 66 94 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000194662A5850, 16 bytes long.
 Data: <PU*f&#148;           > 50 55 2A 66 94 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001946629F030, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x00000194662A5C10, 16 bytes long.
 Data: <(U*f&#148;           > 28 55 2A 66 94 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000194662A5EE0, 16 bytes long.
 Data: < U*f&#148;           > 00 55 2A 66 94 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000194662A5DA0, 16 bytes long.
 Data: <&#216;T*f&#148;           > D8 54 2A 66 94 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000194662A58F0, 16 bytes long.
 Data: <&#176;T*f&#148;           > B0 54 2A 66 94 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000194662A5190, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x00000194662A65C0, 16 bytes long.
 Data: <H )f&#148;           > 48 8D 29 66 94 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001946629F570, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x00000194662A6110, 16 bytes long.
 Data: <  )f&#148;           > 20 8D 29 66 94 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000194662A6430, 16 bytes long.
 Data: <&#248;&#140;)f&#148;           > F8 8C 29 66 94 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000194662A5710, 16 bytes long.
 Data: <&#208;&#140;)f&#148;           > D0 8C 29 66 94 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000194662A5BC0, 16 bytes long.
 Data: <&#168;&#140;)f&#148;           > A8 8C 29 66 94 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000194662A6570, 16 bytes long.
 Data: < &#140;)f&#148;           > 80 8C 29 66 94 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000194662A5B70, 16 bytes long.
 Data: <X&#140;)f&#148;           > 58 8C 29 66 94 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001946629EF10, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x00000194662A5D50, 16 bytes long.
 Data: <0&#140;)f&#148;           > 30 8C 29 66 94 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000019466298C30, 320 bytes long.
 Data: <P]*f&#148;    &#239;)f&#148;   > 50 5D 2A 66 94 01 00 00 10 EF 29 66 94 01 00 00 
{274} normal block at 0x00000194662A56C0, 16 bytes long.
 Data: < T*f&#148;           > 90 54 2A 66 94 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000194662A5E40, 16 bytes long.
 Data: <hT*f&#148;           > 68 54 2A 66 94 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001946629F1B0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x00000194662A6070, 16 bytes long.
 Data: <@T*f&#148;           > 40 54 2A 66 94 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001946629EBB0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x00000194662A5A80, 16 bytes long.
 Data: < S*f&#148;           > 88 53 2A 66 94 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000194662A5800, 16 bytes long.
 Data: <`S*f&#148;           > 60 53 2A 66 94 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000194662A64D0, 16 bytes long.
 Data: <8S*f&#148;           > 38 53 2A 66 94 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000194662A57B0, 16 bytes long.
 Data: < S*f&#148;           > 10 53 2A 66 94 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000194662A6520, 16 bytes long.
 Data: <&#232;R*f&#148;           > E8 52 2A 66 94 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000194662A0090, 16 bytes long.
 Data: <&#192;R*f&#148;           > C0 52 2A 66 94 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000194662A0040, 16 bytes long.
 Data: <&#160;M*f&#148;           > A0 4D 2A 66 94 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000194662A4DA0, 40 bytes long.
 Data: <@ *f&#148;      h&#148;   > 40 00 2A 66 94 01 00 00 80 8F 1E 68 94 01 00 00 
{260} normal block at 0x000001946629FFF0, 16 bytes long.
 Data: <&#160;R*f&#148;           > A0 52 2A 66 94 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001946629FF50, 16 bytes long.
 Data: <xR*f&#148;           > 78 52 2A 66 94 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001946629F3F0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000001946629F730, 16 bytes long.
 Data: <PR*f&#148;           > 50 52 2A 66 94 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000194662A5250, 992 bytes long.
 Data: <0&#247;)f&#148;   &#240;&#243;)f&#148;   > 30 F7 29 66 94 01 00 00 F0 F3 29 66 94 01 00 00 
{92} normal block at 0x000001946629EA30, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x00000194662A01D0, 16 bytes long.
 Data: <&#224;&#210;(f&#148;           > E0 D2 28 66 94 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001946628D2E0, 40 bytes long.
 Data: <&#208; *f&#148;   0&#234;)f&#148;   > D0 01 2A 66 94 01 00 00 30 EA 29 66 94 01 00 00 
{69} normal block at 0x000001946629FC30, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA 8D 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001946629F910, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 8D 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001946629FD70, 16 bytes long.
 Data: <&#248;W&#138; &#246;           > F8 57 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001946629FFA0, 16 bytes long.
 Data: <&#216;W&#138; &#246;           > D8 57 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001946629FA00, 16 bytes long.
 Data: <P &#138; &#246;           > 50 04 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001946629FE60, 16 bytes long.
 Data: <0 &#138; &#246;           > 30 04 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001946629FAF0, 16 bytes long.
 Data: <&#224; &#138; &#246;           > E0 02 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000194662A0130, 16 bytes long.
 Data: <  &#138; &#246;           > 10 04 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000194662A0310, 16 bytes long.
 Data: <p &#138; &#246;           > 70 04 8A 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000194662A00E0, 16 bytes long.
 Data: < &#192;  &#246;           > 18 C0 88 0A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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