Task 38665187

Name test_504-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND4081_0
Workunit 31608305
Created 25 Oct 2026, 0:48:24 UTC
Sent 25 Oct 2026, 0:53:10 UTC
Report deadline 30 Oct 2026, 0:53:10 UTC
Received 26 Oct 2026, 9:39:51 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 625378
Run time 11 hours 57 min 38 sec
CPU time 11 hours 20 min 8 sec
Validate state Valid
Credit 600,000.00
Device peak FLOPS 14,564.90 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 752.84 MB
Peak swap size 12.93 GB
Peak disk usage 4.11 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
15:44:58 (21608): wrapper (7.9.26016): starting
15:44:58 (21608): 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
15:44:59 (21608): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:44:59 (21608): 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
03:39:13 (21608): C:/Windows/system32/cmd.exe exited; CPU time 40808.546875
03:39:13 (21608): called boinc_finish(0)
0 bytes in 0 Free Blocks.
496 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: 772616473 bytes.
Dumping objects ->
{3835871} normal block at 0x000002739E595480, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835860} normal block at 0x000002739C7F5730, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835849} normal block at 0x000002739C7F56C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835838} normal block at 0x000002739C7F5960, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835827} normal block at 0x000002739C7F5880, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835796} normal block at 0x000002739E539520, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835785} normal block at 0x000002739C81AC00, 120 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) : {3835782} normal block at 0x000002739C7EDF90, 8 bytes long.
 Data: <  &#188;&#156;s   > 00 00 BC 9C 73 02 00 00 
{3834849} normal block at 0x000002739C81ACC0, 120 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833971} normal block at 0x000002739C7EE8F0, 8 bytes long.
 Data: <&#176;&#227;D&#158;s   > B0 E3 44 9E 73 02 00 00 
..\zip\boinc_zip.cpp(122) : {317} normal block at 0x000002739C7F2AC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{302} normal block at 0x000002739C7E6A40, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{301} normal block at 0x000002739C7F6C30, 16 bytes long.
 Data: <&#184;w &#156;s           > B8 77 7F 9C 73 02 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000002739C7F6B90, 16 bytes long.
 Data: < w &#156;s           > 90 77 7F 9C 73 02 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002739C7F0A10, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{298} normal block at 0x000002739C7F6DC0, 16 bytes long.
 Data: <hw &#156;s           > 68 77 7F 9C 73 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002739C7F68C0, 16 bytes long.
 Data: <@w &#156;s           > 40 77 7F 9C 73 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002739C7F6500, 16 bytes long.
 Data: < w &#156;s           > 18 77 7F 9C 73 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002739C7F6E10, 16 bytes long.
 Data: <&#240;v &#156;s           > F0 76 7F 9C 73 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002739C7F5490, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{293} normal block at 0x000002739C7F6AA0, 16 bytes long.
 Data: < ` &#156;s           > 88 60 7F 9C 73 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002739C7F0CB0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{291} normal block at 0x000002739C7F7040, 16 bytes long.
 Data: <`` &#156;s           > 60 60 7F 9C 73 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002739C7F6960, 16 bytes long.
 Data: <8` &#156;s           > 38 60 7F 9C 73 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002739C7F6A50, 16 bytes long.
 Data: < ` &#156;s           > 10 60 7F 9C 73 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002739C7F6820, 16 bytes long.
 Data: <&#232;_ &#156;s           > E8 5F 7F 9C 73 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002739C7F6FF0, 16 bytes long.
 Data: <&#192;_ &#156;s           > C0 5F 7F 9C 73 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002739C7F6AF0, 16 bytes long.
 Data: < _ &#156;s           > 98 5F 7F 9C 73 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002739C7F0950, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{283} normal block at 0x000002739C7F7270, 16 bytes long.
 Data: <p_ &#156;s           > 70 5F 7F 9C 73 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002739C7F5F70, 320 bytes long.
 Data: <pr &#156;s   P	 &#156;s   > 70 72 7F 9C 73 02 00 00 50 09 7F 9C 73 02 00 00 
{281} normal block at 0x000002739C7F6F50, 16 bytes long.
 Data: <&#208;v &#156;s           > D0 76 7F 9C 73 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002739C7F69B0, 16 bytes long.
 Data: <&#168;v &#156;s           > A8 76 7F 9C 73 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002739C7F0770, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{278} normal block at 0x000002739C7F6BE0, 16 bytes long.
 Data: < v &#156;s           > 80 76 7F 9C 73 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002739C7F08F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{276} normal block at 0x000002739C7F67D0, 16 bytes long.
 Data: <&#200;u &#156;s           > C8 75 7F 9C 73 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002739C7F6A00, 16 bytes long.
 Data: <&#160;u &#156;s           > A0 75 7F 9C 73 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002739C7F6FA0, 16 bytes long.
 Data: <xu &#156;s           > 78 75 7F 9C 73 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002739C7F6910, 16 bytes long.
 Data: <Pu &#156;s           > 50 75 7F 9C 73 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002739C7F6B40, 16 bytes long.
 Data: <(u &#156;s           > 28 75 7F 9C 73 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002739C7F6D70, 16 bytes long.
 Data: < u &#156;s           > 00 75 7F 9C 73 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002739C7F71D0, 16 bytes long.
 Data: <&#208;Y &#156;s           > D0 59 7F 9C 73 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002739C7F59D0, 40 bytes long.
 Data: <&#208;q &#156;s    &#149;S&#158;s   > D0 71 7F 9C 73 02 00 00 20 95 53 9E 73 02 00 00 
{267} normal block at 0x000002739C7F6780, 16 bytes long.
 Data: <&#224;t &#156;s           > E0 74 7F 9C 73 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002739C7F6C80, 16 bytes long.
 Data: <&#184;t &#156;s           > B8 74 7F 9C 73 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002739C7F03B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{264} normal block at 0x000002739C7F6730, 16 bytes long.
 Data: < t &#156;s           > 90 74 7F 9C 73 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002739C7F7490, 992 bytes long.
 Data: <0g &#156;s   &#176;  &#156;s   > 30 67 7F 9C 73 02 00 00 B0 03 7F 9C 73 02 00 00 
{99} normal block at 0x000002739C7F0BF0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{98} normal block at 0x000002739C7EDEA0, 16 bytes long.
 Data: <0 ~&#156;s           > 30 07 7E 9C 73 02 00 00 00 00 00 00 00 00 00 00 
{97} normal block at 0x000002739C7E0730, 40 bytes long.
 Data: <&#160;&#222;~&#156;s   &#240;  &#156;s   > A0 DE 7E 9C 73 02 00 00 F0 0B 7F 9C 73 02 00 00 
{76} normal block at 0x000002739C7EE4E0, 16 bytes long.
 Data: < &#234;&#135;>&#247;           > 80 EA 87 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
{75} normal block at 0x000002739C7EE710, 16 bytes long.
 Data: <@&#233;&#135;>&#247;           > 40 E9 87 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x000002739C7EE300, 16 bytes long.
 Data: <&#248;W&#132;>&#247;           > F8 57 84 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002739C7EE6C0, 16 bytes long.
 Data: <&#216;W&#132;>&#247;           > D8 57 84 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002739C7EE210, 16 bytes long.
 Data: <P &#132;>&#247;           > 50 04 84 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002739C7EDE50, 16 bytes long.
 Data: <0 &#132;>&#247;           > 30 04 84 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002739C7EE120, 16 bytes long.
 Data: <&#224; &#132;>&#247;           > E0 02 84 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002739C7EE670, 16 bytes long.
 Data: <  &#132;>&#247;           > 10 04 84 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002739C7EDA40, 16 bytes long.
 Data: <p &#132;>&#247;           > 70 04 84 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002739C7EE530, 16 bytes long.
 Data: < &#192;&#130;>&#247;           > 18 C0 82 3E F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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