Task 38684244

Name test_535-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND4973_0
Workunit 31625764
Created 27 Oct 2026, 15:24:26 UTC
Sent 27 Oct 2026, 15:24:33 UTC
Report deadline 1 Nov 2026, 15:24:33 UTC
Received 27 Oct 2026, 17:03:52 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 520259
Run time 35 min 59 sec
CPU time 33 min 50 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 7,445.53 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 691.50 MB
Peak swap size 3.73 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:28:01 (8260): wrapper (7.9.26016): starting
17:28:01 (8260): 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
17:28:03 (8260): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:28:03 (8260): 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\0\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\0\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
18:02:59 (8260): C:/Windows/system32/cmd.exe exited; CPU time 2030.406250
18:02:59 (8260): 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: 33245385 bytes.
Dumping objects ->
{3835227} normal block at 0x0000021E4E636B50, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835216} normal block at 0x0000021E4E6365A0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835205} normal block at 0x0000021E4E636AE0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835194} normal block at 0x0000021E4E636A00, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835183} normal block at 0x0000021E4E6367D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835152} normal block at 0x0000021E5023A490, 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) : {3835139} normal block at 0x0000021E4E62DEC0, 8 bytes long.
 Data: <   N    > 00 00 99 4E 1E 02 00 00 
{3833955} normal block at 0x0000021E4E62E140, 8 bytes long.
 Data: <@B,P    > 40 42 2C 50 1E 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000021E4E631E40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000021E4E6261F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x0000021E4E635920, 16 bytes long.
 Data: <&#232;ccN            > E8 63 63 4E 1E 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000021E4E635C40, 16 bytes long.
 Data: <&#192;ccN            > C0 63 63 4E 1E 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000021E4E630570, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x0000021E4E6356A0, 16 bytes long.
 Data: < ccN            > 98 63 63 4E 1E 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000021E4E635150, 16 bytes long.
 Data: <pccN            > 70 63 63 4E 1E 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000021E4E635B50, 16 bytes long.
 Data: <HccN            > 48 63 63 4E 1E 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000021E4E635380, 16 bytes long.
 Data: < ccN            > 20 63 63 4E 1E 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000021E4E636680, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x0000021E4E635D80, 16 bytes long.
 Data: < &#188;aN            > 08 BC 61 4E 1E 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021E4E62FEB0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x0000021E4E635100, 16 bytes long.
 Data: <&#224;&#187;aN            > E0 BB 61 4E 1E 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021E4E6351F0, 16 bytes long.
 Data: <&#184;&#187;aN            > B8 BB 61 4E 1E 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021E4E635B00, 16 bytes long.
 Data: < &#187;aN            > 90 BB 61 4E 1E 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000021E4E6353D0, 16 bytes long.
 Data: <h&#187;aN            > 68 BB 61 4E 1E 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021E4E6355B0, 16 bytes long.
 Data: <@&#187;aN            > 40 BB 61 4E 1E 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021E4E635E20, 16 bytes long.
 Data: < &#187;aN            > 18 BB 61 4E 1E 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000021E4E62FAF0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x0000021E4E635830, 16 bytes long.
 Data: <&#240;&#186;aN            > F0 BA 61 4E 1E 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000021E4E61BAF0, 320 bytes long.
 Data: <0XcN    &#240;&#250;bN    > 30 58 63 4E 1E 02 00 00 F0 FA 62 4E 1E 02 00 00 
{273} normal block at 0x0000021E4E635BF0, 16 bytes long.
 Data: < ccN            > 00 63 63 4E 1E 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021E4E635F60, 16 bytes long.
 Data: <&#216;bcN            > D8 62 63 4E 1E 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021E4E62FF10, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x0000021E4E635BA0, 16 bytes long.
 Data: <&#176;bcN            > B0 62 63 4E 1E 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021E4E62FC70, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x0000021E4E6357E0, 16 bytes long.
 Data: <&#248;acN            > F8 61 63 4E 1E 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021E4E635A60, 16 bytes long.
 Data: <&#208;acN            > D0 61 63 4E 1E 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021E4E636050, 16 bytes long.
 Data: <&#168;acN            > A8 61 63 4E 1E 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000021E4E635560, 16 bytes long.
 Data: < acN            > 80 61 63 4E 1E 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021E4E636000, 16 bytes long.
 Data: <XacN            > 58 61 63 4E 1E 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000021E4E635A10, 16 bytes long.
 Data: <0acN            > 30 61 63 4E 1E 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000021E4E635880, 16 bytes long.
 Data: <p&#205;aN            > 70 CD 61 4E 1E 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000021E4E61CD70, 40 bytes long.
 Data: < XcN     &#164;#P    > 80 58 63 4E 1E 02 00 00 90 A4 23 50 1E 02 00 00 
{259} normal block at 0x0000021E4E635790, 16 bytes long.
 Data: < acN            > 10 61 63 4E 1E 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000021E4E6351A0, 16 bytes long.
 Data: <&#232;`cN            > E8 60 63 4E 1E 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000021E4E62FE50, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x0000021E4E635FB0, 16 bytes long.
 Data: <&#192;`cN            > C0 60 63 4E 1E 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000021E4E6360C0, 992 bytes long.
 Data: <&#176;_cN    P&#254;bN    > B0 5F 63 4E 1E 02 00 00 50 FE 62 4E 1E 02 00 00 
{91} normal block at 0x0000021E4E62FBB0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x0000021E4E62E000, 16 bytes long.
 Data: <&#240;&#183;aN            > F0 B7 61 4E 1E 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x0000021E4E61B7F0, 40 bytes long.
 Data: < &#224;bN    &#176;&#251;bN    > 00 E0 62 4E 1E 02 00 00 B0 FB 62 4E 1E 02 00 00 
{68} normal block at 0x0000021E4E62E0F0, 16 bytes long.
 Data: < &#234;<&#238;&#246;           > 80 EA 3C EE F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000021E4E62E0A0, 16 bytes long.
 Data: <@&#233;<&#238;&#246;           > 40 E9 3C EE F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000021E4E62D4C0, 16 bytes long.
 Data: <&#248;W9&#238;&#246;           > F8 57 39 EE F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000021E4E62D3D0, 16 bytes long.
 Data: <&#216;W9&#238;&#246;           > D8 57 39 EE F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000021E4E62D330, 16 bytes long.
 Data: <P 9&#238;&#246;           > 50 04 39 EE F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000021E4E62DBA0, 16 bytes long.
 Data: <0 9&#238;&#246;           > 30 04 39 EE F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000021E4E62D470, 16 bytes long.
 Data: <&#224; 9&#238;&#246;           > E0 02 39 EE F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000021E4E62D880, 16 bytes long.
 Data: <  9&#238;&#246;           > 10 04 39 EE F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000021E4E62D380, 16 bytes long.
 Data: <p 9&#238;&#246;           > 70 04 39 EE F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000021E4E62DBF0, 16 bytes long.
 Data: < &#192;7&#238;&#246;           > 18 C0 37 EE F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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