Task 38686108

Name test_721-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND5509_0
Workunit 31627551
Created 28 Oct 2026, 0:43:18 UTC
Sent 28 Oct 2026, 0:43:22 UTC
Report deadline 2 Nov 2026, 0:43:22 UTC
Received 28 Oct 2026, 1:33:59 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 647966
Run time 45 min 18 sec
CPU time 42 min 41 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 746.04 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>
07:44:41 (2376): wrapper (7.9.26016): starting
07:44:41 (2376): 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
07:44:42 (2376): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:44:42 (2376): 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
08:28:37 (2376): C:/Windows/system32/cmd.exe exited; CPU time 2561.796875
08:28:37 (2376): 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: 39173931 bytes.
Dumping objects ->
{3835234} normal block at 0x0000026529BA5D30, 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 0x0000026529BA59B0, 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 0x0000026529BA5CC0, 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 0x0000026529BA5940, 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 0x0000026529BA5C50, 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 0x000002652B9CEF10, 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 0x0000026529B9ACA0, 8 bytes long.
 Data: <  j+e   > 00 00 6A 2B 65 02 00 00 
{3833977} normal block at 0x0000026529B9B060, 8 bytes long.
 Data: <&#160;&#217;&#199;)e   > A0 D9 C7 29 65 02 00 00 
..\zip\boinc_zip.cpp(122) : {320} normal block at 0x0000026529BA1F30, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x0000026529B96D00, 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 0x0000026529BA6F40, 16 bytes long.
 Data: <&#200;s&#186;)e           > C8 73 BA 29 65 02 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x0000026529BA6B80, 16 bytes long.
 Data: <&#160;s&#186;)e           > A0 73 BA 29 65 02 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000026529B9F0F0, 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 0x0000026529BA6DB0, 16 bytes long.
 Data: <xs&#186;)e           > 78 73 BA 29 65 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000026529BA6450, 16 bytes long.
 Data: <Ps&#186;)e           > 50 73 BA 29 65 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000026529BA6B30, 16 bytes long.
 Data: <(s&#186;)e           > 28 73 BA 29 65 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000026529BA6F90, 16 bytes long.
 Data: < s&#186;)e           > 00 73 BA 29 65 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000026529BA5E10, 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 0x0000026529BA6EF0, 16 bytes long.
 Data: <&#184;&#253;&#184;)e           > B8 FD B8 29 65 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000026529B9EF70, 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 0x0000026529BA7030, 16 bytes long.
 Data: < &#253;&#184;)e           > 90 FD B8 29 65 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000026529BA6C70, 16 bytes long.
 Data: <h&#253;&#184;)e           > 68 FD B8 29 65 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000026529BA6630, 16 bytes long.
 Data: <@&#253;&#184;)e           > 40 FD B8 29 65 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000026529BA6A90, 16 bytes long.
 Data: < &#253;&#184;)e           > 18 FD B8 29 65 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000026529BA6D60, 16 bytes long.
 Data: <&#240;&#252;&#184;)e           > F0 FC B8 29 65 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000026529BA6E50, 16 bytes long.
 Data: <&#200;&#252;&#184;)e           > C8 FC B8 29 65 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000026529B9F5D0, 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 0x0000026529BA6A40, 16 bytes long.
 Data: <&#160;&#252;&#184;)e           > A0 FC B8 29 65 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000026529B8FCA0, 320 bytes long.
 Data: <@j&#186;)e   &#208;&#245;&#185;)e   > 40 6A BA 29 65 02 00 00 D0 F5 B9 29 65 02 00 00 
{284} normal block at 0x0000026529BA6360, 16 bytes long.
 Data: <&#224;r&#186;)e           > E0 72 BA 29 65 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000026529BA6EA0, 16 bytes long.
 Data: <&#184;r&#186;)e           > B8 72 BA 29 65 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000026529B9F4B0, 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 0x0000026529BA6AE0, 16 bytes long.
 Data: < r&#186;)e           > 90 72 BA 29 65 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000026529B9F450, 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 0x0000026529BA6900, 16 bytes long.
 Data: <&#216;q&#186;)e           > D8 71 BA 29 65 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000026529BA6270, 16 bytes long.
 Data: <&#176;q&#186;)e           > B0 71 BA 29 65 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000026529BA6590, 16 bytes long.
 Data: < q&#186;)e           > 88 71 BA 29 65 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000026529BA69F0, 16 bytes long.
 Data: <`q&#186;)e           > 60 71 BA 29 65 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000026529BA6810, 16 bytes long.
 Data: <8q&#186;)e           > 38 71 BA 29 65 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000026529BA6C20, 16 bytes long.
 Data: < q&#186;)e           > 10 71 BA 29 65 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000026529BA61D0, 16 bytes long.
 Data: <&#160;]&#186;)e           > A0 5D BA 29 65 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000026529BA5DA0, 40 bytes long.
 Data: <&#208;a&#186;)e    &#239;&#156;+e   > D0 61 BA 29 65 02 00 00 10 EF 9C 2B 65 02 00 00 
{270} normal block at 0x0000026529BA68B0, 16 bytes long.
 Data: <&#240;p&#186;)e           > F0 70 BA 29 65 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000026529BA63B0, 16 bytes long.
 Data: <&#200;p&#186;)e           > C8 70 BA 29 65 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000026529B9EDF0, 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 0x0000026529BA6E00, 16 bytes long.
 Data: <&#160;p&#186;)e           > A0 70 BA 29 65 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000026529BA70A0, 992 bytes long.
 Data: < n&#186;)e   &#240;&#237;&#185;)e   > 00 6E BA 29 65 02 00 00 F0 ED B9 29 65 02 00 00 
{102} normal block at 0x0000026529B9F6F0, 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 0x0000026529B9B0B0, 16 bytes long.
 Data: <&#224;&#239;&#184;)e           > E0 EF B8 29 65 02 00 00 00 00 00 00 00 00 00 00 
{100} normal block at 0x0000026529B8EFE0, 40 bytes long.
 Data: <&#176;&#176;&#185;)e   &#240;&#246;&#185;)e   > B0 B0 B9 29 65 02 00 00 F0 F6 B9 29 65 02 00 00 
{79} normal block at 0x0000026529B9B010, 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 0x0000026529B9B4C0, 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 0x0000026529B9AC00, 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 0x0000026529B9AF70, 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 0x0000026529B9B150, 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 0x0000026529B9AB60, 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 0x0000026529B9B100, 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 0x0000026529B9B740, 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 0x0000026529B9AAC0, 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 0x0000026529B9AED0, 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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