Task 38699188

Name test_123-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND1547_0
Workunit 31639615
Created 3 Nov 2026, 18:44:58 UTC
Sent 3 Nov 2026, 18:45:01 UTC
Report deadline 8 Nov 2026, 18:45:01 UTC
Received 3 Nov 2026, 21:34:24 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 413785
Run time 49 min 31 sec
CPU time 49 min 31 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,458.00 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 706.51 MB
Peak swap size 3.71 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
21:36:46 (26808): wrapper (7.9.26016): starting
21:36:46 (26808): 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
21:36:47 (26808): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:36:47 (26808): 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 'G:\BOINCData\slots\4\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 'G:\BOINCData\slots\4\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
22:33:58 (26808): C:/Windows/system32/cmd.exe exited; CPU time 2971.375000
22:33:58 (26808): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 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: 52891017 bytes.
Dumping objects ->
{3835323} normal block at 0x0000016232EBABF0, 48 bytes long.
 Data: <PATH=G:\BOINCDat> 50 41 54 48 3D 47 3A 5C 42 4F 49 4E 43 44 61 74 
{3835312} normal block at 0x0000016234BA8330, 32 bytes long.
 Data: <HOME=G:\BOINCDat> 48 4F 4D 45 3D 47 3A 5C 42 4F 49 4E 43 44 61 74 
{3835301} normal block at 0x0000016234BA8690, 32 bytes long.
 Data: <TMP=G:\BOINCData> 54 4D 50 3D 47 3A 5C 42 4F 49 4E 43 44 61 74 61 
{3835290} normal block at 0x0000016234BA80F0, 32 bytes long.
 Data: <TEMP=G:\BOINCDat> 54 45 4D 50 3D 47 3A 5C 42 4F 49 4E 43 44 61 74 
{3835279} normal block at 0x0000016234BA79D0, 32 bytes long.
 Data: <TMPDIR=G:\BOINCD> 54 4D 50 44 49 52 3D 47 3A 5C 42 4F 49 4E 43 44 
{3835248} normal block at 0x0000016232EBAAA0, 48 bytes long.
 Data: <PATH=G:\BOINCDat> 50 41 54 48 3D 47 3A 5C 42 4F 49 4E 43 44 61 74 
{3835237} normal block at 0x0000016234B70740, 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) : {3835234} normal block at 0x0000016232E8EFD0, 8 bytes long.
 Data: <  *3b   > 00 00 2A 33 62 01 00 00 
{3834593} normal block at 0x0000016234B70CC0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833977} normal block at 0x0000016232E8E8A0, 8 bytes long.
 Data: < V&#187;4b   > 20 56 BB 34 62 01 00 00 
..\zip\boinc_zip.cpp(122) : {320} normal block at 0x0000016232E92A80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{305} normal block at 0x0000016232E87B20, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{304} normal block at 0x0000016232E96CD0, 16 bytes long.
 Data: <&#200;~&#233;2b           > C8 7E E9 32 62 01 00 00 00 00 00 00 00 00 00 00 
{303} normal block at 0x0000016232E979F0, 16 bytes long.
 Data: <&#160;~&#233;2b           > A0 7E E9 32 62 01 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x0000016232E912E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{301} normal block at 0x0000016232E97270, 16 bytes long.
 Data: <x~&#233;2b           > 78 7E E9 32 62 01 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000016232E97040, 16 bytes long.
 Data: <P~&#233;2b           > 50 7E E9 32 62 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000016232E974A0, 16 bytes long.
 Data: <(~&#233;2b           > 28 7E E9 32 62 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000016232E97400, 16 bytes long.
 Data: < ~&#233;2b           > 00 7E E9 32 62 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000016232E91DF0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{296} normal block at 0x0000016232E96D70, 16 bytes long.
 Data: <x&#255;&#231;2b           > 78 FF E7 32 62 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000016232E91AC0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{294} normal block at 0x0000016232E97540, 16 bytes long.
 Data: <P&#255;&#231;2b           > 50 FF E7 32 62 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000016232E96C80, 16 bytes long.
 Data: <(&#255;&#231;2b           > 28 FF E7 32 62 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000016232E97090, 16 bytes long.
 Data: < &#255;&#231;2b           > 00 FF E7 32 62 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000016232E97130, 16 bytes long.
 Data: <&#216;&#254;&#231;2b           > D8 FE E7 32 62 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000016232E97770, 16 bytes long.
 Data: <&#176;&#254;&#231;2b           > B0 FE E7 32 62 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000016232E96E10, 16 bytes long.
 Data: < &#254;&#231;2b           > 88 FE E7 32 62 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000016232E90E00, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{286} normal block at 0x0000016232E979A0, 16 bytes long.
 Data: <`&#254;&#231;2b           > 60 FE E7 32 62 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000016232E7FE60, 320 bytes long.
 Data: <&#160;y&#233;2b     &#233;2b   > A0 79 E9 32 62 01 00 00 00 0E E9 32 62 01 00 00 
{284} normal block at 0x0000016232E97590, 16 bytes long.
 Data: <&#224;}&#233;2b           > E0 7D E9 32 62 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000016232E973B0, 16 bytes long.
 Data: <&#184;}&#233;2b           > B8 7D E9 32 62 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000016232E919A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{281} normal block at 0x0000016232E96F50, 16 bytes long.
 Data: < }&#233;2b           > 90 7D E9 32 62 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000016232E91040, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{279} normal block at 0x0000016232E97950, 16 bytes long.
 Data: <&#216;|&#233;2b           > D8 7C E9 32 62 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000016232E97450, 16 bytes long.
 Data: <&#176;|&#233;2b           > B0 7C E9 32 62 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000016232E96FA0, 16 bytes long.
 Data: < |&#233;2b           > 88 7C E9 32 62 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000016232E96FF0, 16 bytes long.
 Data: <`|&#233;2b           > 60 7C E9 32 62 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000016232E96BE0, 16 bytes long.
 Data: <8|&#233;2b           > 38 7C E9 32 62 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000016232E971D0, 16 bytes long.
 Data: < |&#233;2b           > 10 7C E9 32 62 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000016232E97900, 16 bytes long.
 Data: <` &#233;2b           > 60 1E E9 32 62 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000016232E91E60, 40 bytes long.
 Data: < y&#233;2b   &#160;&#170;&#235;2b   > 00 79 E9 32 62 01 00 00 A0 AA EB 32 62 01 00 00 
{270} normal block at 0x0000016232E96E60, 16 bytes long.
 Data: <&#240;{&#233;2b           > F0 7B E9 32 62 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000016232E97A90, 16 bytes long.
 Data: <&#200;{&#233;2b           > C8 7B E9 32 62 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000016232E918E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{267} normal block at 0x0000016232E970E0, 16 bytes long.
 Data: <&#160;{&#233;2b           > A0 7B E9 32 62 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000016232E97BA0, 992 bytes long.
 Data: <&#224;p&#233;2b   &#224; &#233;2b   > E0 70 E9 32 62 01 00 00 E0 18 E9 32 62 01 00 00 
{102} normal block at 0x0000016232E91220, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{101} normal block at 0x0000016232E8E4E0, 16 bytes long.
 Data: <0#&#233;2b           > 30 23 E9 32 62 01 00 00 00 00 00 00 00 00 00 00 
{100} normal block at 0x0000016232E92330, 40 bytes long.
 Data: <&#224;&#228;&#232;2b     &#233;2b   > E0 E4 E8 32 62 01 00 00 20 12 E9 32 62 01 00 00 
{79} normal block at 0x0000016232E8E800, 16 bytes long.
 Data: < &#234;)P&#246;           > 80 EA 29 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{78} normal block at 0x0000016232E8E3F0, 16 bytes long.
 Data: <@&#233;)P&#246;           > 40 E9 29 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{77} normal block at 0x0000016232E8E300, 16 bytes long.
 Data: <&#248;W&P&#246;           > F8 57 26 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{76} normal block at 0x0000016232E8E350, 16 bytes long.
 Data: <&#216;W&P&#246;           > D8 57 26 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x0000016232E8E710, 16 bytes long.
 Data: <P &P&#246;           > 50 04 26 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000016232E8E2B0, 16 bytes long.
 Data: <0 &P&#246;           > 30 04 26 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000016232E8E6C0, 16 bytes long.
 Data: <&#224; &P&#246;           > E0 02 26 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000016232E8E850, 16 bytes long.
 Data: <  &P&#246;           > 10 04 26 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000016232E8E490, 16 bytes long.
 Data: <p &P&#246;           > 70 04 26 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000016232E8EB20, 16 bytes long.
 Data: < &#192;$P&#246;           > 18 C0 24 50 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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