Task 38653556

Name test_85-GPUGRID_TEST_ATM_40STEP_20261023-4-40-RND8694_0
Workunit 31597489
Created 24 Oct 2026, 5:48:33 UTC
Sent 24 Oct 2026, 7:13:08 UTC
Report deadline 29 Oct 2026, 7:13:08 UTC
Received 24 Oct 2026, 8:42:59 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 613000
Run time 1 hours 12 min 20 sec
CPU time 1 hours 2 min 11 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 3,094.79 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 667.80 MB
Peak swap size 2.17 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
14:16:07 (27852): wrapper (7.9.26016): starting
14:16:07 (27852): 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
14:16:31 (27852): Library/usr/bin/tar.exe exited; CPU time 0.093750
14:16:31 (27852): 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\2\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\2\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
15:42:13 (27852): C:/Windows/system32/cmd.exe exited; CPU time 3731.640625
15:42:13 (27852): 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: 106154139 bytes.
Dumping objects ->
{3835217} normal block at 0x000001EA79A40C30, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835206} normal block at 0x000001EA79A41250, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835195} normal block at 0x000001EA79A414F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835184} normal block at 0x000001EA79A40A70, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835173} normal block at 0x000001EA79A411E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835142} normal block at 0x000001EA79B78A10, 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) : {3835128} normal block at 0x000001EA78067DA0, 8 bytes long.
 Data: <  &#165;y&#234;   > 00 00 A5 79 EA 01 00 00 
{3833963} normal block at 0x000001EA78067D50, 8 bytes long.
 Data: < H&#192;y&#234;   > 80 48 C0 79 EA 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001EA78073EF0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001EA78056A50, 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 0x000001EA78075020, 16 bytes long.
 Data: <&#168;q x&#234;           > A8 71 07 78 EA 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001EA78074E90, 16 bytes long.
 Data: < q x&#234;           > 80 71 07 78 EA 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001EA7806C5F0, 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 0x000001EA78075520, 16 bytes long.
 Data: <Xq x&#234;           > 58 71 07 78 EA 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001EA78075A20, 16 bytes long.
 Data: <0q x&#234;           > 30 71 07 78 EA 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001EA78074FD0, 16 bytes long.
 Data: < q x&#234;           > 08 71 07 78 EA 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001EA78074F30, 16 bytes long.
 Data: <&#224;p x&#234;           > E0 70 07 78 EA 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001EA7806D700, 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 0x000001EA78075200, 16 bytes long.
 Data: <&#232;i x&#234;           > E8 69 05 78 EA 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001EA7806D250, 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 0x000001EA780757A0, 16 bytes long.
 Data: <&#192;i x&#234;           > C0 69 05 78 EA 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001EA78075390, 16 bytes long.
 Data: < i x&#234;           > 98 69 05 78 EA 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001EA78075700, 16 bytes long.
 Data: <pi x&#234;           > 70 69 05 78 EA 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001EA780752A0, 16 bytes long.
 Data: <Hi x&#234;           > 48 69 05 78 EA 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001EA78075980, 16 bytes long.
 Data: < i x&#234;           > 20 69 05 78 EA 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001EA78075A70, 16 bytes long.
 Data: <&#248;h x&#234;           > F8 68 05 78 EA 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001EA7806C890, 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 0x000001EA78074E40, 16 bytes long.
 Data: <&#208;h x&#234;           > D0 68 05 78 EA 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001EA780568D0, 320 bytes long.
 Data: <@N x&#234;    &#200; x&#234;   > 40 4E 07 78 EA 01 00 00 90 C8 06 78 EA 01 00 00 
{277} normal block at 0x000001EA780759D0, 16 bytes long.
 Data: <&#192;p x&#234;           > C0 70 07 78 EA 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001EA78075480, 16 bytes long.
 Data: < p x&#234;           > 98 70 07 78 EA 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001EA7806CD10, 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 0x000001EA780751B0, 16 bytes long.
 Data: <pp x&#234;           > 70 70 07 78 EA 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001EA7806CCB0, 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 0x000001EA78074DF0, 16 bytes long.
 Data: <&#184;o x&#234;           > B8 6F 07 78 EA 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001EA780756B0, 16 bytes long.
 Data: < o x&#234;           > 90 6F 07 78 EA 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001EA780758E0, 16 bytes long.
 Data: <ho x&#234;           > 68 6F 07 78 EA 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001EA78074DA0, 16 bytes long.
 Data: <@o x&#234;           > 40 6F 07 78 EA 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001EA78075430, 16 bytes long.
 Data: < o x&#234;           > 18 6F 07 78 EA 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001EA780753E0, 16 bytes long.
 Data: <&#240;n x&#234;           > F0 6E 07 78 EA 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001EA780752F0, 16 bytes long.
 Data: < &#218; x&#234;           > 80 DA 06 78 EA 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001EA7806DA80, 40 bytes long.
 Data: <&#240;R x&#234;    &#138;&#183;y&#234;   > F0 52 07 78 EA 01 00 00 10 8A B7 79 EA 01 00 00 
{263} normal block at 0x000001EA78075660, 16 bytes long.
 Data: <&#208;n x&#234;           > D0 6E 07 78 EA 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001EA78075C50, 16 bytes long.
 Data: <&#168;n x&#234;           > A8 6E 07 78 EA 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001EA7806CA70, 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 0x000001EA78075110, 16 bytes long.
 Data: < n x&#234;           > 80 6E 07 78 EA 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001EA78076E80, 992 bytes long.
 Data: < Q x&#234;   p&#202; x&#234;   > 10 51 07 78 EA 01 00 00 70 CA 06 78 EA 01 00 00 
{95} normal block at 0x000001EA7806CA10, 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 0x000001EA78068200, 16 bytes long.
 Data: <P&#216; x&#234;           > 50 D8 06 78 EA 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001EA7806D850, 40 bytes long.
 Data: < &#130; x&#234;    &#202; x&#234;   > 00 82 06 78 EA 01 00 00 10 CA 06 78 EA 01 00 00 
{72} normal block at 0x000001EA78068480, 16 bytes long.
 Data: < &#234;] &#247;           > 80 EA 5D 0A F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001EA78068160, 16 bytes long.
 Data: <@&#233;] &#247;           > 40 E9 5D 0A F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001EA78067940, 16 bytes long.
 Data: <&#248;WZ &#247;           > F8 57 5A 0A F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001EA78067FD0, 16 bytes long.
 Data: <&#216;WZ &#247;           > D8 57 5A 0A F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001EA78068340, 16 bytes long.
 Data: <P Z &#247;           > 50 04 5A 0A F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001EA78067A30, 16 bytes long.
 Data: <0 Z &#247;           > 30 04 5A 0A F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001EA78067C60, 16 bytes long.
 Data: <&#224; Z &#247;           > E0 02 5A 0A F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001EA78067800, 16 bytes long.
 Data: <  Z &#247;           > 10 04 5A 0A F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001EA78067C10, 16 bytes long.
 Data: <p Z &#247;           > 70 04 5A 0A F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001EA780679E0, 16 bytes long.
 Data: < &#192;X &#247;           > 18 C0 58 0A F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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