Task 38680733

Name test_212-GPUGRID_TEST_ATM_40STEP_20261023-11-40-RND8416_0
Workunit 31622441
Created 27 Oct 2026, 1:17:58 UTC
Sent 27 Oct 2026, 1:18:02 UTC
Report deadline 1 Nov 2026, 1:18:02 UTC
Received 27 Oct 2026, 1:38:24 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651810
Run time 17 min 40 sec
CPU time 17 min 3 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,239.72 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 757.43 MB
Peak swap size 12.97 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
02:21:03 (468): wrapper (7.9.26016): starting
02:21:03 (468): 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
02:21:04 (468): Library/usr/bin/tar.exe exited; CPU time 0.000000
02:21:04 (468): 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\1\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\1\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
02:38:05 (468): C:/Windows/system32/cmd.exe exited; CPU time 1023.078125
02:38:05 (468): 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: 15784293 bytes.
Dumping objects ->
{3835247} normal block at 0x0000029867FE5AA0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835236} normal block at 0x0000029867FE5B10, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835225} normal block at 0x0000029867FE5870, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835214} normal block at 0x0000029867FE5800, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835203} normal block at 0x0000029867FE5480, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835172} normal block at 0x0000029869D772A0, 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) : {3835159} normal block at 0x0000029867FDE400, 8 bytes long.
 Data: <  &#247;g    > 00 00 F7 67 98 02 00 00 
{3833965} normal block at 0x0000029867FDDE10, 8 bytes long.
 Data: <&#192;Z&#224;i    > C0 5A E0 69 98 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000029867FE2630, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000029867FD6BC0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x0000029867FE6890, 16 bytes long.
 Data: < s&#254;g            > 08 73 FE 67 98 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000029867FE6700, 16 bytes long.
 Data: <&#224;r&#254;g            > E0 72 FE 67 98 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000029867FE0800, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x0000029867FE61B0, 16 bytes long.
 Data: <&#184;r&#254;g            > B8 72 FE 67 98 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000029867FE6200, 16 bytes long.
 Data: < r&#254;g            > 90 72 FE 67 98 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000029867FE6980, 16 bytes long.
 Data: <hr&#254;g            > 68 72 FE 67 98 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000029867FE6070, 16 bytes long.
 Data: <@r&#254;g            > 40 72 FE 67 98 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000029867FE5640, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x0000029867FE6750, 16 bytes long.
 Data: <  &#252;g            > 18 BD FC 67 98 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000029867FE01A0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x0000029867FE6480, 16 bytes long.
 Data: <&#240;&#188;&#252;g            > F0 BC FC 67 98 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000029867FE6520, 16 bytes long.
 Data: <&#200;&#188;&#252;g            > C8 BC FC 67 98 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000029867FE6BB0, 16 bytes long.
 Data: <&#160;&#188;&#252;g            > A0 BC FC 67 98 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000029867FE6E30, 16 bytes long.
 Data: <x&#188;&#252;g            > 78 BC FC 67 98 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000029867FE6C00, 16 bytes long.
 Data: <P&#188;&#252;g            > 50 BC FC 67 98 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000029867FE6DE0, 16 bytes long.
 Data: <(&#188;&#252;g            > 28 BC FC 67 98 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000029867FE0380, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x0000029867FE6D90, 16 bytes long.
 Data: < &#188;&#252;g            > 00 BC FC 67 98 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000029867FCBC00, 320 bytes long.
 Data: < m&#254;g      &#254;g    > 90 6D FE 67 98 02 00 00 80 03 FE 67 98 02 00 00 
{278} normal block at 0x0000029867FE6020, 16 bytes long.
 Data: < r&#254;g            > 20 72 FE 67 98 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000029867FE64D0, 16 bytes long.
 Data: <&#248;q&#254;g            > F8 71 FE 67 98 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000029867FE0BC0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x0000029867FE6E80, 16 bytes long.
 Data: <&#208;q&#254;g            > D0 71 FE 67 98 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000029867FE0B00, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x0000029867FE63E0, 16 bytes long.
 Data: < q&#254;g            > 18 71 FE 67 98 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000029867FE6160, 16 bytes long.
 Data: <&#240;p&#254;g            > F0 70 FE 67 98 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000029867FE6B60, 16 bytes long.
 Data: <&#200;p&#254;g            > C8 70 FE 67 98 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000029867FE6570, 16 bytes long.
 Data: <&#160;p&#254;g            > A0 70 FE 67 98 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000029867FE6CF0, 16 bytes long.
 Data: <xp&#254;g            > 78 70 FE 67 98 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000029867FE6390, 16 bytes long.
 Data: <Pp&#254;g            > 50 70 FE 67 98 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000029867FE60C0, 16 bytes long.
 Data: <PY&#254;g            > 50 59 FE 67 98 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000029867FE5950, 40 bytes long.
 Data: <&#192;`&#254;g    &#160;r&#215;i    > C0 60 FE 67 98 02 00 00 A0 72 D7 69 98 02 00 00 
{264} normal block at 0x0000029867FE6C50, 16 bytes long.
 Data: <0p&#254;g            > 30 70 FE 67 98 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000029867FE6930, 16 bytes long.
 Data: < p&#254;g            > 08 70 FE 67 98 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000029867FE0080, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x0000029867FE6F20, 16 bytes long.
 Data: <&#224;o&#254;g            > E0 6F FE 67 98 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000029867FE6FE0, 992 bytes long.
 Data: < o&#254;g      &#254;g    > 20 6F FE 67 98 02 00 00 80 00 FE 67 98 02 00 00 
{96} normal block at 0x0000029867FE0860, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x0000029867FDE4F0, 16 bytes long.
 Data: < &#250;&#252;g            > 90 FA FC 67 98 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x0000029867FCFA90, 40 bytes long.
 Data: <&#240;&#228;&#253;g    ` &#254;g    > F0 E4 FD 67 98 02 00 00 60 08 FE 67 98 02 00 00 
{73} normal block at 0x0000029867FDDB90, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA FF 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000029867FDE2C0, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 FF 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000029867FDE900, 16 bytes long.
 Data: <&#248;W&#252; &#246;           > F8 57 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000029867FDE0E0, 16 bytes long.
 Data: <&#216;W&#252; &#246;           > D8 57 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000029867FDDB40, 16 bytes long.
 Data: <P &#252; &#246;           > 50 04 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000029867FDE630, 16 bytes long.
 Data: <0 &#252; &#246;           > 30 04 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000029867FDE5E0, 16 bytes long.
 Data: <&#224; &#252; &#246;           > E0 02 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000029867FDE270, 16 bytes long.
 Data: <  &#252; &#246;           > 10 04 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000029867FDE220, 16 bytes long.
 Data: <p &#252; &#246;           > 70 04 FC 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000029867FDDD20, 16 bytes long.
 Data: < &#192;&#250; &#246;           > 18 C0 FA 90 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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