Task 38685740

Name test_176-GPUGRID_TEST_ATM_40STEP_20261023-14-40-RND7215_0
Workunit 31627198
Created 27 Oct 2026, 22:39:14 UTC
Sent 27 Oct 2026, 22:39:20 UTC
Report deadline 1 Nov 2026, 22:39:20 UTC
Received 28 Oct 2026, 1:45:48 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 618086
Run time 1 hours 8 min 29 sec
CPU time 58 min 20 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,339.30 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 739.19 MB
Peak swap size 8.43 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:39:13 (13100): wrapper (7.9.26016): starting
17:39:13 (13100): 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
17:39:16 (13100): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:39:16 (13100): 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
18:45:03 (13100): C:/Windows/system32/cmd.exe exited; CPU time 3500.265625
18:45:03 (13100): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 77273071 bytes.
Dumping objects ->
{3835458} normal block at 0x000002A08D9A59A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835447} normal block at 0x000002A08D9A5B60, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835436} normal block at 0x000002A08D9A55B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835425} normal block at 0x000002A08BBB6510, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835414} normal block at 0x000002A08BBB62E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835383} normal block at 0x000002A08D91C9D0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835372} normal block at 0x000002A08D930A50, 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) : {3835369} normal block at 0x000002A08BBAEFD0, 8 bytes long.
 Data: <  &#250;&#139;&#160;   > 00 00 FA 8B A0 02 00 00 
{3834654} normal block at 0x000002A08D930F20, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x000002A08BBAED50, 8 bytes long.
 Data: <p\&#187;&#139;&#160;   > 70 5C BB 8B A0 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000002A08BBB3010, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000002A08BBA7FA0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x000002A08BBB78B0, 16 bytes long.
 Data: <  &#187;&#139;&#160;           > 98 81 BB 8B A0 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002A08BBB7860, 16 bytes long.
 Data: <p &#187;&#139;&#160;           > 70 81 BB 8B A0 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002A08BBB1060, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x000002A08BBB72C0, 16 bytes long.
 Data: <H &#187;&#139;&#160;           > 48 81 BB 8B A0 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002A08BBB7810, 16 bytes long.
 Data: <  &#187;&#139;&#160;           > 20 81 BB 8B A0 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002A08BBB7540, 16 bytes long.
 Data: <&#248; &#187;&#139;&#160;           > F8 80 BB 8B A0 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002A08BBB7C70, 16 bytes long.
 Data: <&#208; &#187;&#139;&#160;           > D0 80 BB 8B A0 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002A08BBB6200, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x000002A08BBB7130, 16 bytes long.
 Data: <hj&#187;&#139;&#160;           > 68 6A BB 8B A0 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002A08BBB0760, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x000002A08BBB7680, 16 bytes long.
 Data: <@j&#187;&#139;&#160;           > 40 6A BB 8B A0 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002A08BBB6FF0, 16 bytes long.
 Data: < j&#187;&#139;&#160;           > 18 6A BB 8B A0 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002A08BBB7720, 16 bytes long.
 Data: <&#240;i&#187;&#139;&#160;           > F0 69 BB 8B A0 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002A08BBB70E0, 16 bytes long.
 Data: <&#200;i&#187;&#139;&#160;           > C8 69 BB 8B A0 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002A08BBB74A0, 16 bytes long.
 Data: <&#160;i&#187;&#139;&#160;           > A0 69 BB 8B A0 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002A08BBB7360, 16 bytes long.
 Data: <xi&#187;&#139;&#160;           > 78 69 BB 8B A0 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002A08BBB0C40, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x000002A08BBB7590, 16 bytes long.
 Data: <Pi&#187;&#139;&#160;           > 50 69 BB 8B A0 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002A08BBB6950, 320 bytes long.
 Data: < u&#187;&#139;&#160;   @ &#187;&#139;&#160;   > 90 75 BB 8B A0 02 00 00 40 0C BB 8B A0 02 00 00 
{278} normal block at 0x000002A08BBB73B0, 16 bytes long.
 Data: <&#176; &#187;&#139;&#160;           > B0 80 BB 8B A0 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002A08BBB6F50, 16 bytes long.
 Data: <  &#187;&#139;&#160;           > 88 80 BB 8B A0 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002A08BBB0BE0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x000002A08BBB7AE0, 16 bytes long.
 Data: <` &#187;&#139;&#160;           > 60 80 BB 8B A0 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002A08BBB0E20, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x000002A08BBB7090, 16 bytes long.
 Data: <&#168; &#187;&#139;&#160;           > A8 7F BB 8B A0 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002A08BBB6FA0, 16 bytes long.
 Data: <  &#187;&#139;&#160;           > 80 7F BB 8B A0 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002A08BBB7A90, 16 bytes long.
 Data: <X &#187;&#139;&#160;           > 58 7F BB 8B A0 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002A08BBB7E00, 16 bytes long.
 Data: <0 &#187;&#139;&#160;           > 30 7F BB 8B A0 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002A08BBB6F00, 16 bytes long.
 Data: <  &#187;&#139;&#160;           > 08 7F BB 8B A0 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002A08BBB77C0, 16 bytes long.
 Data: <&#224;~&#187;&#139;&#160;           > E0 7E BB 8B A0 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002A08BBB7A40, 16 bytes long.
 Data: < e&#187;&#139;&#160;           > 80 65 BB 8B A0 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002A08BBB6580, 40 bytes long.
 Data: <@z&#187;&#139;&#160;   &#208;&#201;&#145; &#160;   > 40 7A BB 8B A0 02 00 00 D0 C9 91 8D A0 02 00 00 
{264} normal block at 0x000002A08BBB7450, 16 bytes long.
 Data: <&#192;~&#187;&#139;&#160;           > C0 7E BB 8B A0 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002A08BBB7DB0, 16 bytes long.
 Data: < ~&#187;&#139;&#160;           > 98 7E BB 8B A0 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002A08BBB1120, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x000002A08BBB7400, 16 bytes long.
 Data: <p~&#187;&#139;&#160;           > 70 7E BB 8B A0 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002A08BBB7E70, 992 bytes long.
 Data: < t&#187;&#139;&#160;     &#187;&#139;&#160;   > 00 74 BB 8B A0 02 00 00 20 11 BB 8B A0 02 00 00 
{96} normal block at 0x000002A08BBB13C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x000002A08BBAEA80, 16 bytes long.
 Data: <Pc&#187;&#139;&#160;           > 50 63 BB 8B A0 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000002A08BBB6350, 40 bytes long.
 Data: < &#234;&#186;&#139;&#160;   &#192; &#187;&#139;&#160;   > 80 EA BA 8B A0 02 00 00 C0 13 BB 8B A0 02 00 00 
{73} normal block at 0x000002A08BBAED00, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA 06 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002A08BBAECB0, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 06 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002A08BBAEDF0, 16 bytes long.
 Data: <&#248;W  &#246;           > F8 57 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002A08BBAF160, 16 bytes long.
 Data: <&#216;W  &#246;           > D8 57 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002A08BBAF390, 16 bytes long.
 Data: <P   &#246;           > 50 04 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002A08BBAF3E0, 16 bytes long.
 Data: <0   &#246;           > 30 04 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002A08BBAF340, 16 bytes long.
 Data: <&#224;   &#246;           > E0 02 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002A08BBAEA30, 16 bytes long.
 Data: <    &#246;           > 10 04 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002A08BBAEC60, 16 bytes long.
 Data: <p   &#246;           > 70 04 03 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002A08BBAF2F0, 16 bytes long.
 Data: < &#192;  &#246;           > 18 C0 01 0C F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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