Task 38684030

Name test_18-GPUGRID_TEST_ATM_40STEP_20261023-31-40-RND6570_0
Workunit 31625559
Created 27 Oct 2026, 14:26:14 UTC
Sent 27 Oct 2026, 14:26:20 UTC
Report deadline 1 Nov 2026, 14:26:20 UTC
Received 27 Oct 2026, 15:29:24 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 619246
Run time 1 hours 1 min 19 sec
CPU time 57 min 15 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 8,090.66 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 734.36 MB
Peak swap size 9.88 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:31:00 (33140): wrapper (7.9.26016): starting
09:31:00 (33140): 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
09:31:01 (33140): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:31:01 (33140): 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\25\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\25\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
10:28:42 (33140): C:/Windows/system32/cmd.exe exited; CPU time 3435.984375
10:28:42 (33140): 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: 68514871 bytes.
Dumping objects ->
{3835492} normal block at 0x00000201E01F53D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835481} normal block at 0x00000201E01F5280, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835470} normal block at 0x00000201E01F5590, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835459} normal block at 0x00000201E01F56E0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835448} normal block at 0x00000201E01F5750, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835417} normal block at 0x00000201E1F69900, 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) : {3835404} normal block at 0x00000201E01EE810, 8 bytes long.
 Data: <  _&#224;    > 00 00 5F E0 01 02 00 00 
{3833961} normal block at 0x00000201E01EE360, 8 bytes long.
 Data: < &#235;,&#224;    > 80 EB 2C E0 01 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000201E01F1EB0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000201E01E6A90, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x00000201E01F5D00, 16 bytes long.
 Data: <Ho &#224;            > 48 6F 1F E0 01 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000201E01F5E40, 16 bytes long.
 Data: < o &#224;            > 20 6F 1F E0 01 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000201E01EFAE0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x00000201E01F68E0, 16 bytes long.
 Data: <&#248;n &#224;            > F8 6E 1F E0 01 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000201E01F6250, 16 bytes long.
 Data: <&#208;n &#224;            > D0 6E 1F E0 01 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000201E01F6A70, 16 bytes long.
 Data: <&#168;n &#224;            > A8 6E 1F E0 01 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000201E01F64D0, 16 bytes long.
 Data: < n &#224;            > 80 6E 1F E0 01 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000201E01F5440, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x00000201E01F6BB0, 16 bytes long.
 Data: <X&#234; &#224;            > 58 EA 1D E0 01 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000201E01EFD80, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x00000201E01F62A0, 16 bytes long.
 Data: <0&#234; &#224;            > 30 EA 1D E0 01 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000201E01F62F0, 16 bytes long.
 Data: < &#234; &#224;            > 08 EA 1D E0 01 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000201E01F6070, 16 bytes long.
 Data: <&#224;&#233; &#224;            > E0 E9 1D E0 01 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000201E01F5CB0, 16 bytes long.
 Data: <&#184;&#233; &#224;            > B8 E9 1D E0 01 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000201E01F6B60, 16 bytes long.
 Data: < &#233; &#224;            > 90 E9 1D E0 01 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000201E01F69D0, 16 bytes long.
 Data: <h&#233; &#224;            > 68 E9 1D E0 01 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000201E01EFA80, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x00000201E01F6200, 16 bytes long.
 Data: <@&#233; &#224;            > 40 E9 1D E0 01 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000201E01DE940, 320 bytes long.
 Data: < b &#224;     &#250; &#224;    > 00 62 1F E0 01 02 00 00 80 FA 1E E0 01 02 00 00 
{276} normal block at 0x00000201E01F5C60, 16 bytes long.
 Data: <`n &#224;            > 60 6E 1F E0 01 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000201E01F65C0, 16 bytes long.
 Data: <8n &#224;            > 38 6E 1F E0 01 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000201E01EFEA0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x00000201E01F5DF0, 16 bytes long.
 Data: < n &#224;            > 10 6E 1F E0 01 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000201E01F0860, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x00000201E01F6890, 16 bytes long.
 Data: <Xm &#224;            > 58 6D 1F E0 01 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000201E01F6020, 16 bytes long.
 Data: <0m &#224;            > 30 6D 1F E0 01 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000201E01F60C0, 16 bytes long.
 Data: < m &#224;            > 08 6D 1F E0 01 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000201E01F6480, 16 bytes long.
 Data: <&#224;l &#224;            > E0 6C 1F E0 01 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000201E01F6B10, 16 bytes long.
 Data: <&#184;l &#224;            > B8 6C 1F E0 01 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000201E01F63E0, 16 bytes long.
 Data: < l &#224;            > 90 6C 1F E0 01 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000201E01F6AC0, 16 bytes long.
 Data: <&#192;P &#224;            > C0 50 1F E0 01 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000201E01F50C0, 40 bytes long.
 Data: <&#192;j &#224;      &#246;&#225;    > C0 6A 1F E0 01 02 00 00 00 99 F6 E1 01 02 00 00 
{262} normal block at 0x00000201E01F6430, 16 bytes long.
 Data: <pl &#224;            > 70 6C 1F E0 01 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000201E01F61B0, 16 bytes long.
 Data: <Hl &#224;            > 48 6C 1F E0 01 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000201E01F0680, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x00000201E01F5FD0, 16 bytes long.
 Data: < l &#224;            > 20 6C 1F E0 01 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000201E01F6C20, 992 bytes long.
 Data: <&#208;_ &#224;       &#224;    > D0 5F 1F E0 01 02 00 00 80 06 1F E0 01 02 00 00 
{94} normal block at 0x00000201E01EFF60, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x00000201E01EDFA0, 16 bytes long.
 Data: < &#245; &#224;            > 80 F5 1E E0 01 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x00000201E01EF580, 40 bytes long.
 Data: <&#160;&#223; &#224;    `&#255; &#224;    > A0 DF 1E E0 01 02 00 00 60 FF 1E E0 01 02 00 00 
{71} normal block at 0x00000201E01EDE60, 16 bytes long.
 Data: < &#234; &#135;&#246;           > 80 EA 0E 87 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000201E01EDDC0, 16 bytes long.
 Data: <@&#233; &#135;&#246;           > 40 E9 0E 87 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000201E01EE770, 16 bytes long.
 Data: <&#248;W &#135;&#246;           > F8 57 0B 87 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000201E01EE2C0, 16 bytes long.
 Data: <&#216;W &#135;&#246;           > D8 57 0B 87 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000201E01EE540, 16 bytes long.
 Data: <P  &#135;&#246;           > 50 04 0B 87 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000201E01EDE10, 16 bytes long.
 Data: <0  &#135;&#246;           > 30 04 0B 87 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000201E01EE270, 16 bytes long.
 Data: <&#224;  &#135;&#246;           > E0 02 0B 87 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000201E01EDD20, 16 bytes long.
 Data: <   &#135;&#246;           > 10 04 0B 87 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000201E01EE040, 16 bytes long.
 Data: <p  &#135;&#246;           > 70 04 0B 87 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000201E01EE4F0, 16 bytes long.
 Data: < &#192;	&#135;&#246;           > 18 C0 09 87 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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