Task 38676742

Name test_155-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND7026_0
Workunit 31618642
Created 26 Oct 2026, 12:12:08 UTC
Sent 26 Oct 2026, 12:12:14 UTC
Report deadline 31 Oct 2026, 12:12:14 UTC
Received 26 Oct 2026, 12:55:38 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 429162
Run time 42 min 4 sec
CPU time 38 min 25 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,278.76 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 698.11 MB
Peak swap size 3.84 GB
Peak disk usage 3.98 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:14:45 (4428): wrapper (7.9.26016): starting
13:14:45 (4428): 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
13:14:47 (4428): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:14:47 (4428): 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 'D:\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 'D:\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
13:55:01 (4428): C:/Windows/system32/cmd.exe exited; CPU time 2305.015625
13:55:01 (4428): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 40559810 bytes.
Dumping objects ->
{3835280} normal block at 0x00000268E4C707D0, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835269} normal block at 0x00000268E4C71170, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835258} normal block at 0x00000268E4C70A00, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835247} normal block at 0x00000268E4C71250, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835236} normal block at 0x00000268E4C70840, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835205} normal block at 0x00000268E4D1CB00, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835194} normal block at 0x00000268E32951F0, 85 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) : {3835191} normal block at 0x00000268E3217400, 8 bytes long.
 Data: <   &#227;h   > 00 00 19 E3 68 02 00 00 
{3834566} normal block at 0x00000268E3295010, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x00000268E32173B0, 8 bytes long.
 Data: < ^)&#227;h   > 10 5E 29 E3 68 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000268E32225A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000268E320AF20, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x00000268E32236D0, 16 bytes long.
 Data: < J"&#227;h           > 98 4A 22 E3 68 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000268E3223B80, 16 bytes long.
 Data: <pJ"&#227;h           > 70 4A 22 E3 68 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000268E321C4A0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x00000268E32239F0, 16 bytes long.
 Data: <HJ"&#227;h           > 48 4A 22 E3 68 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000268E32235E0, 16 bytes long.
 Data: < J"&#227;h           > 20 4A 22 E3 68 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000268E3223590, 16 bytes long.
 Data: <&#248;I"&#227;h           > F8 49 22 E3 68 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000268E3223CC0, 16 bytes long.
 Data: <&#208;I"&#227;h           > D0 49 22 E3 68 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000268E321D130, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x00000268E32234A0, 16 bytes long.
 Data: <(h &#227;h           > 28 68 20 E3 68 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000268E321CCE0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x00000268E3223680, 16 bytes long.
 Data: < h &#227;h           > 00 68 20 E3 68 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000268E3224210, 16 bytes long.
 Data: <&#216;g &#227;h           > D8 67 20 E3 68 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000268E3223950, 16 bytes long.
 Data: <&#176;g &#227;h           > B0 67 20 E3 68 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000268E3224120, 16 bytes long.
 Data: < g &#227;h           > 88 67 20 E3 68 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000268E32234F0, 16 bytes long.
 Data: <`g &#227;h           > 60 67 20 E3 68 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000268E3223400, 16 bytes long.
 Data: <8g &#227;h           > 38 67 20 E3 68 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000268E321C620, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x00000268E3223B30, 16 bytes long.
 Data: < g &#227;h           > 10 67 20 E3 68 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000268E3206710, 320 bytes long.
 Data: <0;"&#227;h    &#198;!&#227;h   > 30 3B 22 E3 68 02 00 00 20 C6 21 E3 68 02 00 00 
{275} normal block at 0x00000268E3224030, 16 bytes long.
 Data: <&#176;I"&#227;h           > B0 49 22 E3 68 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000268E3223EF0, 16 bytes long.
 Data: < I"&#227;h           > 88 49 22 E3 68 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000268E321BF60, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x00000268E3223630, 16 bytes long.
 Data: <`I"&#227;h           > 60 49 22 E3 68 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000268E321CE60, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x00000268E32233B0, 16 bytes long.
 Data: <&#168;H"&#227;h           > A8 48 22 E3 68 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000268E3223C70, 16 bytes long.
 Data: < H"&#227;h           > 80 48 22 E3 68 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000268E3223AE0, 16 bytes long.
 Data: <XH"&#227;h           > 58 48 22 E3 68 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000268E3223450, 16 bytes long.
 Data: <0H"&#227;h           > 30 48 22 E3 68 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000268E3223540, 16 bytes long.
 Data: < H"&#227;h           > 08 48 22 E3 68 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000268E32240D0, 16 bytes long.
 Data: <&#224;G"&#227;h           > E0 47 22 E3 68 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000268E3223BD0, 16 bytes long.
 Data: <@&#212;!&#227;h           > 40 D4 21 E3 68 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000268E321D440, 40 bytes long.
 Data: <&#208;;"&#227;h    &#203;&#209;&#228;h   > D0 3B 22 E3 68 02 00 00 00 CB D1 E4 68 02 00 00 
{261} normal block at 0x00000268E3223FE0, 16 bytes long.
 Data: <&#192;G"&#227;h           > C0 47 22 E3 68 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000268E32239A0, 16 bytes long.
 Data: < G"&#227;h           > 98 47 22 E3 68 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000268E321C800, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x00000268E3223860, 16 bytes long.
 Data: <pG"&#227;h           > 70 47 22 E3 68 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000268E3224770, 992 bytes long.
 Data: <`8"&#227;h    &#200;!&#227;h   > 60 38 22 E3 68 02 00 00 00 C8 21 E3 68 02 00 00 
{93} normal block at 0x00000268E321CB60, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x00000268E3217D10, 16 bytes long.
 Data: < &#213;!&#227;h           > 20 D5 21 E3 68 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x00000268E321D520, 40 bytes long.
 Data: < }!&#227;h   `&#203;!&#227;h   > 10 7D 21 E3 68 02 00 00 60 CB 21 E3 68 02 00 00 
{70} normal block at 0x00000268E3217C70, 16 bytes long.
 Data: < &#234;Q&#140;&#247;           > 80 EA 51 8C F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000268E32179A0, 16 bytes long.
 Data: <@&#233;Q&#140;&#247;           > 40 E9 51 8C F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000268E3217720, 16 bytes long.
 Data: <&#248;WN&#140;&#247;           > F8 57 4E 8C F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000268E3217310, 16 bytes long.
 Data: <&#216;WN&#140;&#247;           > D8 57 4E 8C F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000268E32172C0, 16 bytes long.
 Data: <P N&#140;&#247;           > 50 04 4E 8C F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000268E3217220, 16 bytes long.
 Data: <0 N&#140;&#247;           > 30 04 4E 8C F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000268E3218030, 16 bytes long.
 Data: <&#224; N&#140;&#247;           > E0 02 4E 8C F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000268E32171D0, 16 bytes long.
 Data: <  N&#140;&#247;           > 10 04 4E 8C F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000268E3217B80, 16 bytes long.
 Data: <p N&#140;&#247;           > 70 04 4E 8C F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000268E3218080, 16 bytes long.
 Data: < &#192;L&#140;&#247;           > 18 C0 4C 8C F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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