Task 38685449

Name test_822-GPUGRID_TEST_ATM_40STEP_20261023-39-40-RND0093_0
Workunit 31626915
Created 27 Oct 2026, 21:05:44 UTC
Sent 27 Oct 2026, 21:05:52 UTC
Report deadline 1 Nov 2026, 21:05:52 UTC
Received 27 Oct 2026, 22:03:10 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 647966
Run time 51 min 56 sec
CPU time 50 min 13 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 29,771.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 750.95 MB
Peak swap size 13.42 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:07:11 (3756): wrapper (7.9.26016): starting
04:07:11 (3756): 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
04:07:12 (3756): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:07:12 (3756): 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\8\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\8\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
04:57:55 (3756): C:/Windows/system32/cmd.exe exited; CPU time 3013.593750
04:57:55 (3756): 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: 45696681 bytes.
Dumping objects ->
{3835234} normal block at 0x0000023A98457570, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x0000023A98457490, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x0000023A984578F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835201} normal block at 0x0000023A984576C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835190} normal block at 0x0000023A984579D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835159} normal block at 0x0000023A9A302420, 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) : {3835146} normal block at 0x0000023A9844BFF0, 8 bytes long.
 Data: <  &#150; :   > 00 00 96 98 3A 02 00 00 
{3833977} normal block at 0x0000023A9844B9B0, 8 bytes long.
 Data: <&#224;W5&#154;:   > E0 57 35 9A 3A 02 00 00 
..\zip\boinc_zip.cpp(122) : {320} normal block at 0x0000023A984528C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x0000023A98447610, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{304} normal block at 0x0000023A98457D50, 16 bytes long.
 Data: <&#168;&#142;E :           > A8 8E 45 98 3A 02 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x0000023A98457EE0, 16 bytes long.
 Data: < &#142;E :           > 80 8E 45 98 3A 02 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000023A984505C0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{301} normal block at 0x0000023A98458840, 16 bytes long.
 Data: <X&#142;E :           > 58 8E 45 98 3A 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000023A98458B10, 16 bytes long.
 Data: <0&#142;E :           > 30 8E 45 98 3A 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000023A98457BC0, 16 bytes long.
 Data: < &#142;E :           > 08 8E 45 98 3A 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000023A98458AC0, 16 bytes long.
 Data: <&#224; E :           > E0 8D 45 98 3A 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000023A984573B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{296} normal block at 0x0000023A98457FD0, 16 bytes long.
 Data: < &#192;C :           > 18 C0 43 98 3A 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000023A984504A0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{294} normal block at 0x0000023A984587A0, 16 bytes long.
 Data: <&#240;&#191;C :           > F0 BF 43 98 3A 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000023A98458A70, 16 bytes long.
 Data: <&#200;&#191;C :           > C8 BF 43 98 3A 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000023A98457E40, 16 bytes long.
 Data: <&#160;&#191;C :           > A0 BF 43 98 3A 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000023A98458A20, 16 bytes long.
 Data: <x&#191;C :           > 78 BF 43 98 3A 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000023A984589D0, 16 bytes long.
 Data: <P&#191;C :           > 50 BF 43 98 3A 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000023A98458750, 16 bytes long.
 Data: <(&#191;C :           > 28 BF 43 98 3A 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000023A9844FBA0, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{286} normal block at 0x0000023A984580C0, 16 bytes long.
 Data: < &#191;C :           > 00 BF 43 98 3A 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000023A9843BF00, 320 bytes long.
 Data: <&#192; E :   &#160;&#251;D :   > C0 80 45 98 3A 02 00 00 A0 FB 44 98 3A 02 00 00 
{284} normal block at 0x0000023A98457D00, 16 bytes long.
 Data: <&#192; E :           > C0 8D 45 98 3A 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000023A984581B0, 16 bytes long.
 Data: <  E :           > 98 8D 45 98 3A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000023A984508C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{281} normal block at 0x0000023A98457DF0, 16 bytes long.
 Data: <p E :           > 70 8D 45 98 3A 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000023A984501A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{279} normal block at 0x0000023A984585C0, 16 bytes long.
 Data: <&#184;&#140;E :           > B8 8C 45 98 3A 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000023A98458070, 16 bytes long.
 Data: < &#140;E :           > 90 8C 45 98 3A 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000023A98458980, 16 bytes long.
 Data: <h&#140;E :           > 68 8C 45 98 3A 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000023A984588E0, 16 bytes long.
 Data: <@&#140;E :           > 40 8C 45 98 3A 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000023A98457C60, 16 bytes long.
 Data: < &#140;E :           > 18 8C 45 98 3A 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000023A98458390, 16 bytes long.
 Data: <&#240;&#139;E :           > F0 8B 45 98 3A 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000023A98458110, 16 bytes long.
 Data: <&#176;zE :           > B0 7A 45 98 3A 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000023A98457AB0, 40 bytes long.
 Data: <  E :    $0&#154;:   > 10 81 45 98 3A 02 00 00 20 24 30 9A 3A 02 00 00 
{270} normal block at 0x0000023A984587F0, 16 bytes long.
 Data: <&#208;&#139;E :           > D0 8B 45 98 3A 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000023A984582F0, 16 bytes long.
 Data: <&#168;&#139;E :           > A8 8B 45 98 3A 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000023A9844FC60, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{267} normal block at 0x0000023A98458890, 16 bytes long.
 Data: < &#139;E :           > 80 8B 45 98 3A 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000023A98458B80, 992 bytes long.
 Data: <  E :   `&#252;D :   > 90 88 45 98 3A 02 00 00 60 FC 44 98 3A 02 00 00 
{102} normal block at 0x0000023A98450A40, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{101} normal block at 0x0000023A9844B960, 16 bytes long.
 Data: <p&#204;C :           > 70 CC 43 98 3A 02 00 00 00 00 00 00 00 00 00 00 
{100} normal block at 0x0000023A9843CC70, 40 bytes long.
 Data: <`&#185;D :   @ E :   > 60 B9 44 98 3A 02 00 00 40 0A 45 98 3A 02 00 00 
{79} normal block at 0x0000023A9844B910, 16 bytes long.
 Data: < &#234;&#211;&#237;&#246;           > 80 EA D3 ED F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x0000023A9844C400, 16 bytes long.
 Data: <@&#233;&#211;&#237;&#246;           > 40 E9 D3 ED F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x0000023A9844C3B0, 16 bytes long.
 Data: <&#248;W&#208;&#237;&#246;           > F8 57 D0 ED F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x0000023A9844C130, 16 bytes long.
 Data: <&#216;W&#208;&#237;&#246;           > D8 57 D0 ED F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x0000023A9844C360, 16 bytes long.
 Data: <P &#208;&#237;&#246;           > 50 04 D0 ED F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000023A9844BAF0, 16 bytes long.
 Data: <0 &#208;&#237;&#246;           > 30 04 D0 ED F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000023A9844B730, 16 bytes long.
 Data: <&#224; &#208;&#237;&#246;           > E0 02 D0 ED F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000023A9844BBE0, 16 bytes long.
 Data: <  &#208;&#237;&#246;           > 10 04 D0 ED F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000023A9844C2C0, 16 bytes long.
 Data: <p &#208;&#237;&#246;           > 70 04 D0 ED F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000023A9844B8C0, 16 bytes long.
 Data: < &#192;&#206;&#237;&#246;           > 18 C0 CE ED F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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