Task 38683709

Name test_637-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND0567_0
Workunit 31625260
Created 27 Oct 2026, 12:57:56 UTC
Sent 27 Oct 2026, 12:58:02 UTC
Report deadline 1 Nov 2026, 12:58:02 UTC
Received 27 Oct 2026, 14:24:21 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 648197
Run time 42 min 34 sec
CPU time 39 min 10 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 19,587.62 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 736.30 MB
Peak swap size 5.38 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
14:41:44 (13176): wrapper (7.9.26016): starting
14:41:44 (13176): 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
14:41:45 (13176): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:41:45 (13176): 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\10\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\10\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
15:23:19 (13176): C:/Windows/system32/cmd.exe exited; CPU time 2350.640625
15:23:19 (13176): 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: 35513063 bytes.
Dumping objects ->
{3835282} normal block at 0x0000023C5FDFDE60, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835271} normal block at 0x0000023C5FDFDB50, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835260} normal block at 0x0000023C5E084F50, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835249} normal block at 0x0000023C5E084EE0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835238} normal block at 0x0000023C5E084E70, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835207} normal block at 0x0000023C5FE48530, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x0000023C5FE5E970, 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) : {3835193} normal block at 0x0000023C5E07F910, 8 bytes long.
 Data: <  \^<   > 00 00 5C 5E 3C 02 00 00 
{3834569} normal block at 0x0000023C5FE5EE40, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x0000023C5E07EB50, 8 bytes long.
 Data: < >&#234;_<   > 80 3E EA 5F 3C 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000023C5E07DAA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000023C5E076B30, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x0000023C5E085E10, 16 bytes long.
 Data: <&#184;j ^<           > B8 6A 08 5E 3C 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000023C5E085AF0, 16 bytes long.
 Data: < j ^<           > 90 6A 08 5E 3C 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000023C5E0806B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x0000023C5E086360, 16 bytes long.
 Data: <hj ^<           > 68 6A 08 5E 3C 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000023C5E0859B0, 16 bytes long.
 Data: <@j ^<           > 40 6A 08 5E 3C 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000023C5E085DC0, 16 bytes long.
 Data: < j ^<           > 18 6A 08 5E 3C 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000023C5E086090, 16 bytes long.
 Data: <&#240;i ^<           > F0 69 08 5E 3C 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000023C5E084D20, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x0000023C5E0858C0, 16 bytes long.
 Data: <H&#244; ^<           > 48 F4 06 5E 3C 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000023C5E080590, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x0000023C5E086220, 16 bytes long.
 Data: < &#244; ^<           > 20 F4 06 5E 3C 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000023C5E085F50, 16 bytes long.
 Data: <&#248;&#243; ^<           > F8 F3 06 5E 3C 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000023C5E085910, 16 bytes long.
 Data: <&#208;&#243; ^<           > D0 F3 06 5E 3C 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000023C5E086540, 16 bytes long.
 Data: <&#168;&#243; ^<           > A8 F3 06 5E 3C 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000023C5E0860E0, 16 bytes long.
 Data: < &#243; ^<           > 80 F3 06 5E 3C 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000023C5E086040, 16 bytes long.
 Data: <X&#243; ^<           > 58 F3 06 5E 3C 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000023C5E080230, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x0000023C5E086590, 16 bytes long.
 Data: <0&#243; ^<           > 30 F3 06 5E 3C 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000023C5E06F330, 320 bytes long.
 Data: < e ^<   0  ^<   > 90 65 08 5E 3C 02 00 00 30 02 08 5E 3C 02 00 00 
{276} normal block at 0x0000023C5E085AA0, 16 bytes long.
 Data: <&#208;i ^<           > D0 69 08 5E 3C 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000023C5E085D70, 16 bytes long.
 Data: <&#168;i ^<           > A8 69 08 5E 3C 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000023C5E080110, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x0000023C5E085D20, 16 bytes long.
 Data: < i ^<           > 80 69 08 5E 3C 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000023C5E0803B0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x0000023C5E0864F0, 16 bytes long.
 Data: <&#200;h ^<           > C8 68 08 5E 3C 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000023C5E085820, 16 bytes long.
 Data: <&#160;h ^<           > A0 68 08 5E 3C 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000023C5E0864A0, 16 bytes long.
 Data: <xh ^<           > 78 68 08 5E 3C 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000023C5E086680, 16 bytes long.
 Data: <Ph ^<           > 50 68 08 5E 3C 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000023C5E0861D0, 16 bytes long.
 Data: <(h ^<           > 28 68 08 5E 3C 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000023C5E085FF0, 16 bytes long.
 Data: < h ^<           > 00 68 08 5E 3C 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000023C5E086310, 16 bytes long.
 Data: <&#192;O ^<           > C0 4F 08 5E 3C 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000023C5E084FC0, 40 bytes long.
 Data: < c ^<   0&#133;&#228;_<   > 10 63 08 5E 3C 02 00 00 30 85 E4 5F 3C 02 00 00 
{262} normal block at 0x0000023C5E0862C0, 16 bytes long.
 Data: <&#224;g ^<           > E0 67 08 5E 3C 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000023C5E086180, 16 bytes long.
 Data: <&#184;g ^<           > B8 67 08 5E 3C 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000023C5E080350, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x0000023C5E085CD0, 16 bytes long.
 Data: < g ^<           > 90 67 08 5E 3C 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000023C5E086790, 992 bytes long.
 Data: <&#208;\ ^<   P  ^<   > D0 5C 08 5E 3C 02 00 00 50 03 08 5E 3C 02 00 00 
{94} normal block at 0x0000023C5E07FF90, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x0000023C5E07F140, 16 bytes long.
 Data: <@&#212; ^<           > 40 D4 06 5E 3C 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000023C5E06D440, 40 bytes long.
 Data: <@&#241; ^<      ^<   > 40 F1 07 5E 3C 02 00 00 90 FF 07 5E 3C 02 00 00 
{71} normal block at 0x0000023C5E07EF60, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA BD B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000023C5E07F280, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 BD B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000023C5E07F500, 16 bytes long.
 Data: <&#248;W&#186; &#246;           > F8 57 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000023C5E07F960, 16 bytes long.
 Data: <&#216;W&#186; &#246;           > D8 57 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000023C5E07F5F0, 16 bytes long.
 Data: <P &#186; &#246;           > 50 04 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000023C5E07F7D0, 16 bytes long.
 Data: <0 &#186; &#246;           > 30 04 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000023C5E07EB00, 16 bytes long.
 Data: <&#224; &#186; &#246;           > E0 02 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000023C5E07F460, 16 bytes long.
 Data: <  &#186; &#246;           > 10 04 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000023C5E07FA50, 16 bytes long.
 Data: <p &#186; &#246;           > 70 04 BA B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000023C5E07F370, 16 bytes long.
 Data: < &#192;&#184; &#246;           > 18 C0 B8 B2 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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