Task 38687231

Name test_664-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND4414_0
Workunit 31628625
Created 28 Oct 2026, 6:40:01 UTC
Sent 28 Oct 2026, 6:40:08 UTC
Report deadline 2 Nov 2026, 6:40:08 UTC
Received 28 Oct 2026, 7:04:01 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 649098
Run time 18 min 12 sec
CPU time 17 min 35 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 743.32 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>
07:46:19 (1536): wrapper (7.9.26016): starting
07:46:19 (1536): 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
07:46:20 (1536): Library/usr/bin/tar.exe exited; CPU time 0.015625
07:46:20 (1536): 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
08:03:46 (1536): C:/Windows/system32/cmd.exe exited; CPU time 1055.359375
08:03:46 (1536): 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: 19196129 bytes.
Dumping objects ->
{3835248} normal block at 0x000002803BD6C970, 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 0x0000028039DC4CC0, 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 0x0000028039DC4B70, 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 0x0000028039DC4780, 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 0x0000028039DC49B0, 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 0x000002803BDB4070, 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 0x0000028039DBFB10, 8 bytes long.
 Data: <  <:    > 00 00 3C 3A 80 02 00 00 
{3833957} normal block at 0x0000028039DC01F0, 8 bytes long.
 Data: < &#224;&#218;9    > 20 E0 DA 39 80 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000028039DC0D50, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000028039DAF590, 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 0x0000028039DC5DC0, 16 bytes long.
 Data: <&#200;R&#220;9            > C8 52 DC 39 80 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000028039DC6130, 16 bytes long.
 Data: <&#160;R&#220;9            > A0 52 DC 39 80 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000028039DBE7B0, 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 0x0000028039DC5C30, 16 bytes long.
 Data: <xR&#220;9            > 78 52 DC 39 80 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000028039DC5820, 16 bytes long.
 Data: <PR&#220;9            > 50 52 DC 39 80 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000028039DC5FF0, 16 bytes long.
 Data: <(R&#220;9            > 28 52 DC 39 80 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000028039DC61D0, 16 bytes long.
 Data: < R&#220;9            > 00 52 DC 39 80 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000028039DC4A90, 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 0x0000028039DC5AF0, 16 bytes long.
 Data: < &#142;&#219;9            > 98 8E DB 39 80 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000028039DBE8D0, 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 0x0000028039DC5D20, 16 bytes long.
 Data: <p&#142;&#219;9            > 70 8E DB 39 80 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000028039DC5A50, 16 bytes long.
 Data: <H&#142;&#219;9            > 48 8E DB 39 80 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000028039DC5500, 16 bytes long.
 Data: < &#142;&#219;9            > 20 8E DB 39 80 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000028039DC5CD0, 16 bytes long.
 Data: <&#248; &#219;9            > F8 8D DB 39 80 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000028039DC5D70, 16 bytes long.
 Data: <&#208; &#219;9            > D0 8D DB 39 80 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000028039DC5F50, 16 bytes long.
 Data: <&#168; &#219;9            > A8 8D DB 39 80 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000028039DBF590, 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 0x0000028039DC5550, 16 bytes long.
 Data: <  &#219;9            > 80 8D DB 39 80 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000028039DB8D80, 320 bytes long.
 Data: <PU&#220;9     &#245;&#219;9    > 50 55 DC 39 80 02 00 00 90 F5 DB 39 80 02 00 00 
{274} normal block at 0x0000028039DC5960, 16 bytes long.
 Data: <&#224;Q&#220;9            > E0 51 DC 39 80 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000028039DC6270, 16 bytes long.
 Data: <&#184;Q&#220;9            > B8 51 DC 39 80 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000028039DBEAB0, 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 0x0000028039DC5AA0, 16 bytes long.
 Data: < Q&#220;9            > 90 51 DC 39 80 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000028039DBEF30, 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 0x0000028039DC5C80, 16 bytes long.
 Data: <&#216;P&#220;9            > D8 50 DC 39 80 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000028039DC6180, 16 bytes long.
 Data: <&#176;P&#220;9            > B0 50 DC 39 80 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000028039DC56E0, 16 bytes long.
 Data: < P&#220;9            > 88 50 DC 39 80 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000028039DC55F0, 16 bytes long.
 Data: <`P&#220;9            > 60 50 DC 39 80 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000028039DC5BE0, 16 bytes long.
 Data: <8P&#220;9            > 38 50 DC 39 80 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000028039DC0150, 16 bytes long.
 Data: < P&#220;9            > 10 50 DC 39 80 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000028039DBFF70, 16 bytes long.
 Data: <&#240;G&#220;9            > F0 47 DC 39 80 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000028039DC47F0, 40 bytes long.
 Data: <p&#255;&#219;9    p@&#219;;    > 70 FF DB 39 80 02 00 00 70 40 DB 3B 80 02 00 00 
{260} normal block at 0x0000028039DBFAC0, 16 bytes long.
 Data: <&#240;O&#220;9            > F0 4F DC 39 80 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000028039DBFA70, 16 bytes long.
 Data: <&#200;O&#220;9            > C8 4F DC 39 80 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000028039DBF170, 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 0x0000028039DBF980, 16 bytes long.
 Data: <&#160;O&#220;9            > A0 4F DC 39 80 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000028039DC4FA0, 992 bytes long.
 Data: < &#249;&#219;9    p&#241;&#219;9    > 80 F9 DB 39 80 02 00 00 70 F1 DB 39 80 02 00 00 
{92} normal block at 0x0000028039DBF3B0, 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 0x0000028039DC0650, 16 bytes long.
 Data: <&#240;&#198;&#218;9            > F0 C6 DA 39 80 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000028039DAC6F0, 40 bytes long.
 Data: <P &#220;9    &#176;&#243;&#219;9    > 50 06 DC 39 80 02 00 00 B0 F3 DB 39 80 02 00 00 
{69} normal block at 0x0000028039DC0380, 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 0x0000028039DC01A0, 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 0x0000028039DC00B0, 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 0x0000028039DBFDE0, 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 0x0000028039DBFBB0, 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 0x0000028039DC03D0, 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 0x0000028039DBF7A0, 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 0x0000028039DBF750, 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 0x0000028039DBFD40, 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 0x0000028039DC05B0, 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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