Task 38688850

Name test_827-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND2394_0
Workunit 31630156
Created 28 Oct 2026, 16:30:52 UTC
Sent 28 Oct 2026, 16:31:00 UTC
Report deadline 2 Nov 2026, 16:31:00 UTC
Received 28 Oct 2026, 17:14:08 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 641471
Run time 32 min 26 sec
CPU time 28 min
Validate state Valid
Credit 60,000.00
Device peak FLOPS 44,609.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 727.87 MB
Peak swap size 8.46 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:41:30 (18668): wrapper (7.9.26016): starting
16:41:30 (18668): 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
16:41:32 (18668): Library/usr/bin/tar.exe exited; CPU time 0.015625
16:41:32 (18668): 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\17\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\17\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
17:12:56 (18668): C:/Windows/system32/cmd.exe exited; CPU time 1680.484375
17:12:56 (18668): 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: 32687019 bytes.
Dumping objects ->
{3835253} normal block at 0x0000024D2B2ED740, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835242} normal block at 0x0000024D29555A50, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835231} normal block at 0x0000024D295559E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835220} normal block at 0x0000024D29555C80, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835209} normal block at 0x0000024D29555970, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835178} normal block at 0x0000024D2B33BEC0, 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) : {3835165} normal block at 0x0000024D295520C0, 8 bytes long.
 Data: <  &#164;)M   > 00 00 A4 29 4D 02 00 00 
{3833961} normal block at 0x0000024D29551AD0, 8 bytes long.
 Data: < &#172;W)M   > 90 AC 57 29 4D 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x0000024D2953FFA0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000024D29547960, 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 0x0000024D295570D0, 16 bytes long.
 Data: < bU)M           > 18 62 55 29 4D 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000024D29556860, 16 bytes long.
 Data: <&#240;aU)M           > F0 61 55 29 4D 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000024D29550250, 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 0x0000024D295569F0, 16 bytes long.
 Data: <&#200;aU)M           > C8 61 55 29 4D 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000024D29556EF0, 16 bytes long.
 Data: <&#160;aU)M           > A0 61 55 29 4D 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000024D29556630, 16 bytes long.
 Data: <xaU)M           > 78 61 55 29 4D 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000024D29556400, 16 bytes long.
 Data: <PaU)M           > 50 61 55 29 4D 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000024D295556D0, 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 0x0000024D29556360, 16 bytes long.
 Data: <&#200; T)M           > C8 03 54 29 4D 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000024D29550370, 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 0x0000024D29557260, 16 bytes long.
 Data: <&#160; T)M           > A0 03 54 29 4D 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000024D29556770, 16 bytes long.
 Data: <x T)M           > 78 03 54 29 4D 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000024D29556540, 16 bytes long.
 Data: <P T)M           > 50 03 54 29 4D 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000024D29556950, 16 bytes long.
 Data: <( T)M           > 28 03 54 29 4D 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000024D295565E0, 16 bytes long.
 Data: <  T)M           > 00 03 54 29 4D 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000024D29556FE0, 16 bytes long.
 Data: <&#216; T)M           > D8 02 54 29 4D 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000024D295504F0, 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 0x0000024D29556F90, 16 bytes long.
 Data: <&#176; T)M           > B0 02 54 29 4D 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000024D295402B0, 320 bytes long.
 Data: < oU)M   &#240; U)M   > 90 6F 55 29 4D 02 00 00 F0 04 55 29 4D 02 00 00 
{276} normal block at 0x0000024D29556CC0, 16 bytes long.
 Data: <0aU)M           > 30 61 55 29 4D 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000024D29556F40, 16 bytes long.
 Data: < aU)M           > 08 61 55 29 4D 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000024D29550850, 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 0x0000024D29557170, 16 bytes long.
 Data: <&#224;`U)M           > E0 60 55 29 4D 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000024D29550310, 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 0x0000024D29556590, 16 bytes long.
 Data: <(`U)M           > 28 60 55 29 4D 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000024D29556C70, 16 bytes long.
 Data: < `U)M           > 00 60 55 29 4D 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000024D29556900, 16 bytes long.
 Data: <&#216;_U)M           > D8 5F 55 29 4D 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000024D295569A0, 16 bytes long.
 Data: <&#176;_U)M           > B0 5F 55 29 4D 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000024D29551490, 16 bytes long.
 Data: < _U)M           > 88 5F 55 29 4D 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000024D295521B0, 16 bytes long.
 Data: <`_U)M           > 60 5F 55 29 4D 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000024D29552070, 16 bytes long.
 Data: <&#192;ZU)M           > C0 5A 55 29 4D 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000024D29555AC0, 40 bytes long.
 Data: <p U)M   &#192;&#190;3+M   > 70 20 55 29 4D 02 00 00 C0 BE 33 2B 4D 02 00 00 
{262} normal block at 0x0000024D29552020, 16 bytes long.
 Data: <@_U)M           > 40 5F 55 29 4D 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000024D29551E90, 16 bytes long.
 Data: < _U)M           > 18 5F 55 29 4D 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000024D295510F0, 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 0x0000024D29551B70, 16 bytes long.
 Data: <&#240;^U)M           > F0 5E 55 29 4D 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000024D29555EF0, 992 bytes long.
 Data: <p U)M   &#240; U)M   > 70 1B 55 29 4D 02 00 00 F0 10 55 29 4D 02 00 00 
{94} normal block at 0x0000024D29550AF0, 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 0x0000024D29551C10, 16 bytes long.
 Data: <0&#230;S)M           > 30 E6 53 29 4D 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x0000024D2953E630, 40 bytes long.
 Data: <  U)M   &#240; U)M   > 10 1C 55 29 4D 02 00 00 F0 0A 55 29 4D 02 00 00 
{71} normal block at 0x0000024D29551E40, 16 bytes long.
 Data: < &#234;&#216;;&#246;           > 80 EA D8 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000024D29551800, 16 bytes long.
 Data: <@&#233;&#216;;&#246;           > 40 E9 D8 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000024D295515D0, 16 bytes long.
 Data: <&#248;W&#213;;&#246;           > F8 57 D5 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000024D29551DF0, 16 bytes long.
 Data: <&#216;W&#213;;&#246;           > D8 57 D5 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000024D29551990, 16 bytes long.
 Data: <P &#213;;&#246;           > 50 04 D5 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000024D295513F0, 16 bytes long.
 Data: <0 &#213;;&#246;           > 30 04 D5 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000024D29551EE0, 16 bytes long.
 Data: <&#224; &#213;;&#246;           > E0 02 D5 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000024D29551440, 16 bytes long.
 Data: <  &#213;;&#246;           > 10 04 D5 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000024D295518F0, 16 bytes long.
 Data: <p &#213;;&#246;           > 70 04 D5 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000024D295518A0, 16 bytes long.
 Data: < &#192;&#211;;&#246;           > 18 C0 D3 3B F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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