Task 38654671

Name test_769-GPUGRID_TEST_ATM_40STEP_20261023-4-40-RND0276_0
Workunit 31598481
Created 24 Oct 2026, 7:42:26 UTC
Sent 24 Oct 2026, 7:42:54 UTC
Report deadline 29 Oct 2026, 7:42:54 UTC
Received 24 Oct 2026, 10:21:21 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653804
Run time 40 min 5 sec
CPU time 38 min 42 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,171.24 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 701.47 MB
Peak swap size 5.35 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:40:53 (12232): wrapper (7.9.26016): starting
04:40:53 (12232): 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
04:40:54 (12232): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:40:54 (12232): 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
05:21:02 (12232): C:/Windows/system32/cmd.exe exited; CPU time 2322.281250
05:21:02 (12232): 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: 50462775 bytes.
Dumping objects ->
{3835276} normal block at 0x000001B00FBC61C0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835265} normal block at 0x000001B00FBC5AC0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835254} normal block at 0x000001B00FBC59E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835243} normal block at 0x000001B00DF95360, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835232} normal block at 0x000001B00DF952F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835201} normal block at 0x000001B00FB69CB0, 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) : {3835188} normal block at 0x000001B00DF8D950, 8 bytes long.
 Data: <  &#242; &#176;   > 00 00 F2 0D B0 01 00 00 
{3833963} normal block at 0x000001B00DF8DB80, 8 bytes long.
 Data: < &#230;  &#176;   > 10 E6 06 0E B0 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001B00DF91610, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001B00DF86730, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x000001B00DF96700, 16 bytes long.
 Data: <Ho&#249; &#176;           > 48 6F F9 0D B0 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001B00DF95C60, 16 bytes long.
 Data: < o&#249; &#176;           > 20 6F F9 0D B0 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001B00DF8FFE0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x000001B00DF96660, 16 bytes long.
 Data: <&#248;n&#249; &#176;           > F8 6E F9 0D B0 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001B00DF96BB0, 16 bytes long.
 Data: <&#208;n&#249; &#176;           > D0 6E F9 0D B0 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001B00DF967F0, 16 bytes long.
 Data: <&#168;n&#249; &#176;           > A8 6E F9 0D B0 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001B00DF96200, 16 bytes long.
 Data: < n&#249; &#176;           > 80 6E F9 0D B0 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001B00DF95520, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x000001B00DF95DF0, 16 bytes long.
 Data: <(&#149;&#248; &#176;           > 28 95 F8 0D B0 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001B00DF8FE60, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x000001B00DF96020, 16 bytes long.
 Data: < &#149;&#248; &#176;           > 00 95 F8 0D B0 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001B00DF96070, 16 bytes long.
 Data: <&#216;&#148;&#248; &#176;           > D8 94 F8 0D B0 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001B00DF96610, 16 bytes long.
 Data: <&#176;&#148;&#248; &#176;           > B0 94 F8 0D B0 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001B00DF96980, 16 bytes long.
 Data: < &#148;&#248; &#176;           > 88 94 F8 0D B0 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001B00DF96B60, 16 bytes long.
 Data: <`&#148;&#248; &#176;           > 60 94 F8 0D B0 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001B00DF96AC0, 16 bytes long.
 Data: <8&#148;&#248; &#176;           > 38 94 F8 0D B0 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001B00DF90400, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x000001B00DF961B0, 16 bytes long.
 Data: < &#148;&#248; &#176;           > 10 94 F8 0D B0 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001B00DF89410, 320 bytes long.
 Data: <&#176;a&#249; &#176;     &#249; &#176;   > B0 61 F9 0D B0 01 00 00 00 04 F9 0D B0 01 00 00 
{277} normal block at 0x000001B00DF967A0, 16 bytes long.
 Data: <`n&#249; &#176;           > 60 6E F9 0D B0 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001B00DF96B10, 16 bytes long.
 Data: <8n&#249; &#176;           > 38 6E F9 0D B0 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001B00DF8F8C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x000001B00DF95FD0, 16 bytes long.
 Data: < n&#249; &#176;           > 10 6E F9 0D B0 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001B00DF90040, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x000001B00DF964D0, 16 bytes long.
 Data: <Xm&#249; &#176;           > 58 6D F9 0D B0 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001B00DF96390, 16 bytes long.
 Data: <0m&#249; &#176;           > 30 6D F9 0D B0 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001B00DF965C0, 16 bytes long.
 Data: < m&#249; &#176;           > 08 6D F9 0D B0 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001B00DF963E0, 16 bytes long.
 Data: <&#224;l&#249; &#176;           > E0 6C F9 0D B0 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001B00DF95DA0, 16 bytes long.
 Data: <&#184;l&#249; &#176;           > B8 6C F9 0D B0 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001B00DF95F80, 16 bytes long.
 Data: < l&#249; &#176;           > 90 6C F9 0D B0 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001B00DF95CB0, 16 bytes long.
 Data: <&#176;T&#249; &#176;           > B0 54 F9 0D B0 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001B00DF954B0, 40 bytes long.
 Data: <&#176;\&#249; &#176;   &#176;&#156;&#182; &#176;   > B0 5C F9 0D B0 01 00 00 B0 9C B6 0F B0 01 00 00 
{263} normal block at 0x000001B00DF96520, 16 bytes long.
 Data: <pl&#249; &#176;           > 70 6C F9 0D B0 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001B00DF96A20, 16 bytes long.
 Data: <Hl&#249; &#176;           > 48 6C F9 0D B0 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001B00DF8F620, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x000001B00DF96A70, 16 bytes long.
 Data: < l&#249; &#176;           > 20 6C F9 0D B0 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001B00DF96C20, 992 bytes long.
 Data: <pj&#249; &#176;    &#246;&#248; &#176;   > 70 6A F9 0D B0 01 00 00 20 F6 F8 0D B0 01 00 00 
{95} normal block at 0x000001B00DF8FCE0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x000001B00DF8DCC0, 16 bytes long.
 Data: <PW&#249; &#176;           > 50 57 F9 0D B0 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001B00DF95750, 40 bytes long.
 Data: <&#192;&#220;&#248; &#176;   &#224;&#252;&#248; &#176;   > C0 DC F8 0D B0 01 00 00 E0 FC F8 0D B0 01 00 00 
{72} normal block at 0x000001B00DF8D860, 16 bytes long.
 Data: < &#234;7&#255;&#247;           > 80 EA 37 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001B00DF8DE50, 16 bytes long.
 Data: <@&#233;7&#255;&#247;           > 40 E9 37 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001B00DF8D9F0, 16 bytes long.
 Data: <&#248;W4&#255;&#247;           > F8 57 34 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001B00DF8D810, 16 bytes long.
 Data: <&#216;W4&#255;&#247;           > D8 57 34 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001B00DF8DA90, 16 bytes long.
 Data: <P 4&#255;&#247;           > 50 04 34 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001B00DF8E030, 16 bytes long.
 Data: <0 4&#255;&#247;           > 30 04 34 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001B00DF8DDB0, 16 bytes long.
 Data: <&#224; 4&#255;&#247;           > E0 02 34 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001B00DF8E260, 16 bytes long.
 Data: <  4&#255;&#247;           > 10 04 34 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001B00DF8DEF0, 16 bytes long.
 Data: <p 4&#255;&#247;           > 70 04 34 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001B00DF8DB30, 16 bytes long.
 Data: < &#192;2&#255;&#247;           > 18 C0 32 FF F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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