Task 38662459

Name test_411-GPUGRID_TEST_ATM_40STEP_20261023-7-40-RND2245_0
Workunit 31605717
Created 24 Oct 2026, 19:14:36 UTC
Sent 24 Oct 2026, 19:14:52 UTC
Report deadline 29 Oct 2026, 19:14:52 UTC
Received 24 Oct 2026, 20:39:30 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 628466
Run time 53 min 1 sec
CPU time 44 min 31 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 731.83 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>
12:22:37 (17316): wrapper (7.9.26016): starting
12:22:37 (17316): 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
12:22:42 (17316): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:22:42 (17316): 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
13:15:16 (17316): C:/Windows/system32/cmd.exe exited; CPU time 2671.046875
13:15:16 (17316): 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: 39716595 bytes.
Dumping objects ->
{3835561} normal block at 0x00000115218912A0, 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 0x000001151FBC61A0, 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 0x000001151FBC6130, 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 0x000001151FBC66E0, 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 0x000001151FBC6670, 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 0x00000115219080B0, 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 0x000001152191F920, 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 0x000001151FBC06E0, 8 bytes long.
 Data: <  	     > 00 00 09 20 15 01 00 00 
{3834691} normal block at 0x000001152191FD40, 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 0x000001151FBC0F50, 8 bytes long.
 Data: <`N !    > 60 4E 99 21 15 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x000001151FBC20C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001151FBB7ED0, 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 0x000001151FBC7230, 16 bytes long.
 Data: <&#184;{&#188;             > B8 7B BC 1F 15 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001151FBC7140, 16 bytes long.
 Data: < {&#188;             > 90 7B BC 1F 15 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001151FBC1650, 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 0x000001151FBC6E70, 16 bytes long.
 Data: <h{&#188;             > 68 7B BC 1F 15 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001151FBC7410, 16 bytes long.
 Data: <@{&#188;             > 40 7B BC 1F 15 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001151FBC73C0, 16 bytes long.
 Data: < {&#188;             > 18 7B BC 1F 15 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001151FBC7690, 16 bytes long.
 Data: <&#240;z&#188;             > F0 7A BC 1F 15 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001151FBC6210, 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 0x000001151FBC77D0, 16 bytes long.
 Data: <x &#187;             > 78 02 BB 1F 15 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001151FBC1950, 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 0x000001151FBC6920, 16 bytes long.
 Data: <P &#187;             > 50 02 BB 1F 15 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001151FBC6E20, 16 bytes long.
 Data: <( &#187;             > 28 02 BB 1F 15 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001151FBC6BA0, 16 bytes long.
 Data: <  &#187;             > 00 02 BB 1F 15 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001151FBC7190, 16 bytes long.
 Data: <&#216; &#187;             > D8 01 BB 1F 15 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001151FBC7050, 16 bytes long.
 Data: <&#176; &#187;             > B0 01 BB 1F 15 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001151FBC70F0, 16 bytes long.
 Data: <  &#187;             > 88 01 BB 1F 15 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001151FBC1F50, 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 0x000001151FBC7000, 16 bytes long.
 Data: <` &#187;             > 60 01 BB 1F 15 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001151FBB0160, 320 bytes long.
 Data: < p&#188;     P &#188;     > 00 70 BC 1F 15 01 00 00 50 1F BC 1F 15 01 00 00 
{277} normal block at 0x000001151FBC7370, 16 bytes long.
 Data: <&#208;z&#188;             > D0 7A BC 1F 15 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001151FBC6A60, 16 bytes long.
 Data: <&#168;z&#188;             > A8 7A BC 1F 15 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001151FBC1590, 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 0x000001151FBC71E0, 16 bytes long.
 Data: < z&#188;             > 80 7A BC 1F 15 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001151FBC1770, 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 0x000001151FBC7320, 16 bytes long.
 Data: <&#200;y&#188;             > C8 79 BC 1F 15 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001151FBC7820, 16 bytes long.
 Data: <&#160;y&#188;             > A0 79 BC 1F 15 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001151FBC68D0, 16 bytes long.
 Data: <xy&#188;             > 78 79 BC 1F 15 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001151FBC7550, 16 bytes long.
 Data: <Py&#188;             > 50 79 BC 1F 15 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001151FBC6C40, 16 bytes long.
 Data: <(y&#188;             > 28 79 BC 1F 15 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001151FBC70A0, 16 bytes long.
 Data: < y&#188;             > 00 79 BC 1F 15 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001151FBC6FB0, 16 bytes long.
 Data: <@d&#188;             > 40 64 BC 1F 15 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001151FBC6440, 40 bytes long.
 Data: <&#176;o&#188;     &#176;  !    > B0 6F BC 1F 15 01 00 00 B0 80 90 21 15 01 00 00 
{263} normal block at 0x000001151FBC7640, 16 bytes long.
 Data: <&#224;x&#188;             > E0 78 BC 1F 15 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001151FBC6AB0, 16 bytes long.
 Data: <&#184;x&#188;             > B8 78 BC 1F 15 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001151FBC14D0, 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 0x000001151FBC6BF0, 16 bytes long.
 Data: < x&#188;             > 90 78 BC 1F 15 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001151FBC7890, 992 bytes long.
 Data: <&#240;k&#188;     &#208; &#188;     > F0 6B BC 1F 15 01 00 00 D0 14 BC 1F 15 01 00 00 
{95} normal block at 0x000001151FBC1DD0, 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 0x000001151FBC0780, 16 bytes long.
 Data: <&#224; &#187;             > E0 07 BB 1F 15 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x000001151FBB07E0, 40 bytes long.
 Data: <  &#188;     &#208; &#188;     > 80 07 BC 1F 15 01 00 00 D0 1D BC 1F 15 01 00 00 
{72} normal block at 0x000001151FBC0BE0, 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 0x000001151FBC0460, 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 0x000001151FBC0550, 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 0x000001151FBC03C0, 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 0x000001151FBC02D0, 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 0x000001151FBC0190, 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 0x000001151FBC0410, 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 0x000001151FBC05A0, 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 0x000001151FBC0FF0, 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 0x000001151FBC0280, 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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