Task 38662808

Name test_665-GPUGRID_TEST_ATM_40STEP_20261023-10-40-RND8929_0
Workunit 31606043
Created 24 Oct 2026, 20:46:25 UTC
Sent 24 Oct 2026, 20:47:23 UTC
Report deadline 29 Oct 2026, 20:47:23 UTC
Received 24 Oct 2026, 21:54:34 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 628466
Run time 57 min 25 sec
CPU time 51 min 5 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 49,324.59 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 735.73 MB
Peak swap size 6.99 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:50:12 (12128): wrapper (7.9.26016): starting
13:50:12 (12128): 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
13:50:17 (12128): Library/usr/bin/tar.exe exited; CPU time 0.015625
13:50:17 (12128): 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\3\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\3\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
14:53:47 (12128): C:/Windows/system32/cmd.exe exited; CPU time 3065.906250
14:53:47 (12128): 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: 48405321 bytes.
Dumping objects ->
{3835561} normal block at 0x00000242901DDE30, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835550} normal block at 0x000002428E5E3BB0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835539} normal block at 0x000002428E5E39F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835528} normal block at 0x000002428E5E3670, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835517} normal block at 0x000002428E5E3980, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835486} normal block at 0x000002429022C5F0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835475} normal block at 0x000002429023F890, 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) : {3835472} normal block at 0x000002428E5DF210, 8 bytes long.
 Data: <  &#167;&#142;B   > 00 00 A7 8E 42 02 00 00 
{3834691} normal block at 0x000002429023F470, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x000002428E5DF440, 8 bytes long.
 Data: <p&#230;k&#142;B   > 70 E6 6B 8E 42 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000002428E5E6040, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002428E5CCC50, 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 0x000002428E5E4A30, 16 bytes long.
 Data: <&#248;T^&#142;B           > F8 54 5E 8E 42 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002428E5E4580, 16 bytes long.
 Data: <&#208;T^&#142;B           > D0 54 5E 8E 42 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002428E5DF860, 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 0x000002428E5E4760, 16 bytes long.
 Data: <&#168;T^&#142;B           > A8 54 5E 8E 42 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002428E5E4210, 16 bytes long.
 Data: < T^&#142;B           > 80 54 5E 8E 42 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002428E5E4990, 16 bytes long.
 Data: <XT^&#142;B           > 58 54 5E 8E 42 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002428E5E48F0, 16 bytes long.
 Data: <0T^&#142;B           > 30 54 5E 8E 42 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002428E5E3D00, 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 0x000002428E5E44E0, 16 bytes long.
 Data: <&#248;&#142;]&#142;B           > F8 8E 5D 8E 42 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002428E5DF7A0, 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 0x000002428E5E4350, 16 bytes long.
 Data: <&#208;&#142;]&#142;B           > D0 8E 5D 8E 42 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002428E5E4FD0, 16 bytes long.
 Data: <&#168;&#142;]&#142;B           > A8 8E 5D 8E 42 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002428E5E4C60, 16 bytes long.
 Data: < &#142;]&#142;B           > 80 8E 5D 8E 42 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002428E5E45D0, 16 bytes long.
 Data: <X&#142;]&#142;B           > 58 8E 5D 8E 42 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002428E5E4940, 16 bytes long.
 Data: <0&#142;]&#142;B           > 30 8E 5D 8E 42 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002428E5E4800, 16 bytes long.
 Data: < &#142;]&#142;B           > 08 8E 5D 8E 42 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002428E5DF740, 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 0x000002428E5E4C10, 16 bytes long.
 Data: <&#224; ]&#142;B           > E0 8D 5D 8E 42 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002428E5D8DE0, 320 bytes long.
 Data: < L^&#142;B   @&#247;]&#142;B   > 10 4C 5E 8E 42 02 00 00 40 F7 5D 8E 42 02 00 00 
{277} normal block at 0x000002428E5E4710, 16 bytes long.
 Data: < T^&#142;B           > 10 54 5E 8E 42 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002428E5E42B0, 16 bytes long.
 Data: <&#232;S^&#142;B           > E8 53 5E 8E 42 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002428E5DF6E0, 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 0x000002428E5E48A0, 16 bytes long.
 Data: <&#192;S^&#142;B           > C0 53 5E 8E 42 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002428E5DFEC0, 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 0x000002428E5E5160, 16 bytes long.
 Data: < S^&#142;B           > 08 53 5E 8E 42 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002428E5E4CB0, 16 bytes long.
 Data: <&#224;R^&#142;B           > E0 52 5E 8E 42 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002428E5E4BC0, 16 bytes long.
 Data: <&#184;R^&#142;B           > B8 52 5E 8E 42 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002428E5E5110, 16 bytes long.
 Data: < R^&#142;B           > 90 52 5E 8E 42 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002428E5E49E0, 16 bytes long.
 Data: <hR^&#142;B           > 68 52 5E 8E 42 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002428E5E4490, 16 bytes long.
 Data: <@R^&#142;B           > 40 52 5E 8E 42 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002428E5E4530, 16 bytes long.
 Data: < <^&#142;B           > 90 3C 5E 8E 42 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002428E5E3C90, 40 bytes long.
 Data: <0E^&#142;B   &#240;&#197;" B   > 30 45 5E 8E 42 02 00 00 F0 C5 22 90 42 02 00 00 
{263} normal block at 0x000002428E5E47B0, 16 bytes long.
 Data: < R^&#142;B           > 20 52 5E 8E 42 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002428E5E50C0, 16 bytes long.
 Data: <&#248;Q^&#142;B           > F8 51 5E 8E 42 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002428E5DFB00, 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 0x000002428E5E4300, 16 bytes long.
 Data: <&#208;Q^&#142;B           > D0 51 5E 8E 42 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002428E5E51D0, 992 bytes long.
 Data: < C^&#142;B    &#251;]&#142;B   > 00 43 5E 8E 42 02 00 00 00 FB 5D 8E 42 02 00 00 
{95} normal block at 0x000002428E5DFE60, 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 0x000002428E5DEAE0, 16 bytes long.
 Data: <P&#240;\&#142;B           > 50 F0 5C 8E 42 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000002428E5CF050, 40 bytes long.
 Data: <&#224;&#234;]&#142;B   `&#254;]&#142;B   > E0 EA 5D 8E 42 02 00 00 60 FE 5D 8E 42 02 00 00 
{72} normal block at 0x000002428E5DF080, 16 bytes long.
 Data: < &#234;^~&#247;           > 80 EA 5E 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002428E5DE810, 16 bytes long.
 Data: <@&#233;^~&#247;           > 40 E9 5E 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002428E5DF3F0, 16 bytes long.
 Data: <&#248;W[~&#247;           > F8 57 5B 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002428E5DF1C0, 16 bytes long.
 Data: <&#216;W[~&#247;           > D8 57 5B 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002428E5DEFE0, 16 bytes long.
 Data: <P [~&#247;           > 50 04 5B 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002428E5DEC70, 16 bytes long.
 Data: <0 [~&#247;           > 30 04 5B 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002428E5DE860, 16 bytes long.
 Data: <&#224; [~&#247;           > E0 02 5B 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002428E5DF300, 16 bytes long.
 Data: <  [~&#247;           > 10 04 5B 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002428E5DF530, 16 bytes long.
 Data: <p [~&#247;           > 70 04 5B 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002428E5DEA40, 16 bytes long.
 Data: < &#192;Y~&#247;           > 18 C0 59 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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