Task 38667520

Name test_557-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND2519_1
Workunit 31608390
Created 25 Oct 2026, 8:20:42 UTC
Sent 25 Oct 2026, 8:20:54 UTC
Report deadline 30 Oct 2026, 8:20:54 UTC
Received 25 Oct 2026, 14:31:00 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 632103
Run time 4 hours 47 min 27 sec
CPU time 4 hours 47 min 27 sec
Validate state Valid
Credit 600,000.00
Device peak FLOPS 22,329.38 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 698.71 MB
Peak swap size 9.90 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:53:14 (7848): wrapper (7.9.26016): starting
10:53:14 (7848): 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
10:53:15 (7848): Library/usr/bin/tar.exe exited; CPU time 0.000000
10:53:15 (7848): 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
15:30:11 (7848): C:/Windows/system32/cmd.exe exited; CPU time 17247.343750
15:30:11 (7848): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 bytes in 8 Normal Blocks.
2288 bytes in 2 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 209142769 bytes.
Dumping objects ->
{3835244} normal block at 0x0000021E0AF61640, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x0000021E0AF61330, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835222} normal block at 0x0000021E0AF60A00, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835211} normal block at 0x0000021E0AF60D80, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835200} normal block at 0x0000021E0AF60FB0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835169} normal block at 0x0000021E0B00BC90, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835158} normal block at 0x0000021E0B124900, 140 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) : {3835155} normal block at 0x0000021E09446AD0, 8 bytes long.
 Data: <  <	    > 00 00 3C 09 1E 02 00 00 
{3834558} normal block at 0x0000021E0B125050, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833967} normal block at 0x0000021E09446DA0, 8 bytes long.
 Data: <pY      > 70 59 12 0B 1E 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000021E09451120, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000021E09435DB0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x0000021E09452700, 16 bytes long.
 Data: < 8E	            > 98 38 45 09 1E 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000021E09452660, 16 bytes long.
 Data: <p8E	            > 70 38 45 09 1E 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000021E0944C8B0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x0000021E09452610, 16 bytes long.
 Data: <H8E	            > 48 38 45 09 1E 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000021E09452520, 16 bytes long.
 Data: < 8E	            > 20 38 45 09 1E 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000021E094521B0, 16 bytes long.
 Data: <&#248;7E	            > F8 37 45 09 1E 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000021E09453100, 16 bytes long.
 Data: <&#208;7E	            > D0 37 45 09 1E 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000021E0944B510, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x0000021E094524D0, 16 bytes long.
 Data: <H]C	            > 48 5D 43 09 1E 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000021E0944D090, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x0000021E09452B60, 16 bytes long.
 Data: < ]C	            > 20 5D 43 09 1E 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000021E09452480, 16 bytes long.
 Data: <&#248;\C	            > F8 5C 43 09 1E 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000021E09452FC0, 16 bytes long.
 Data: <&#208;\C	            > D0 5C 43 09 1E 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021E09452E80, 16 bytes long.
 Data: <&#168;\C	            > A8 5C 43 09 1E 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021E09452DE0, 16 bytes long.
 Data: < \C	            > 80 5C 43 09 1E 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021E094522A0, 16 bytes long.
 Data: <X\C	            > 58 5C 43 09 1E 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021E0944D1B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x0000021E09452D90, 16 bytes long.
 Data: <0\C	            > 30 5C 43 09 1E 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000021E09435C30, 320 bytes long.
 Data: < -E	    &#176;&#209;D	    > 90 2D 45 09 1E 02 00 00 B0 D1 44 09 1E 02 00 00 
{279} normal block at 0x0000021E09452B10, 16 bytes long.
 Data: <&#176;7E	            > B0 37 45 09 1E 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021E09452D40, 16 bytes long.
 Data: < 7E	            > 88 37 45 09 1E 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021E0944D030, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x0000021E094523E0, 16 bytes long.
 Data: <`7E	            > 60 37 45 09 1E 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021E0944C9D0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x0000021E09452CF0, 16 bytes long.
 Data: <&#168;6E	            > A8 36 45 09 1E 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021E09452F70, 16 bytes long.
 Data: < 6E	            > 80 36 45 09 1E 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021E09452570, 16 bytes long.
 Data: <X6E	            > 58 36 45 09 1E 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021E09452930, 16 bytes long.
 Data: <06E	            > 30 36 45 09 1E 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000021E09452C50, 16 bytes long.
 Data: < 6E	            > 08 36 45 09 1E 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021E09452250, 16 bytes long.
 Data: <&#224;5E	            > E0 35 45 09 1E 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021E094526B0, 16 bytes long.
 Data: <0&#180;D	            > 30 B4 44 09 1E 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021E0944B430, 40 bytes long.
 Data: <&#176;&E	     &#188;      > B0 26 45 09 1E 02 00 00 90 BC 00 0B 1E 02 00 00 
{265} normal block at 0x0000021E09452ED0, 16 bytes long.
 Data: <&#192;5E	            > C0 35 45 09 1E 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021E09452390, 16 bytes long.
 Data: < 5E	            > 98 35 45 09 1E 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000021E0944D7B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x0000021E09452340, 16 bytes long.
 Data: <p5E	            > 70 35 45 09 1E 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000021E09453570, 992 bytes long.
 Data: <@#E	    &#176;&#215;D	    > 40 23 45 09 1E 02 00 00 B0 D7 44 09 1E 02 00 00 
{97} normal block at 0x0000021E0944CFD0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x0000021E094470C0, 16 bytes long.
 Data: <&#176;&#183;D	            > B0 B7 44 09 1E 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x0000021E0944B7B0, 40 bytes long.
 Data: <&#192;pD	    &#208;&#207;D	    > C0 70 44 09 1E 02 00 00 D0 CF 44 09 1E 02 00 00 
{74} normal block at 0x0000021E09446E90, 16 bytes long.
 Data: < &#234;  &#246;           > 80 EA 90 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000021E09446FD0, 16 bytes long.
 Data: <@&#233;  &#246;           > 40 E9 90 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000021E09447430, 16 bytes long.
 Data: <&#248;W  &#246;           > F8 57 8D 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000021E09446DF0, 16 bytes long.
 Data: <&#216;W  &#246;           > D8 57 8D 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000021E09446940, 16 bytes long.
 Data: <P   &#246;           > 50 04 8D 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000021E09447070, 16 bytes long.
 Data: <0   &#246;           > 30 04 8D 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000021E094467B0, 16 bytes long.
 Data: <&#224;   &#246;           > E0 02 8D 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000021E094468F0, 16 bytes long.
 Data: <    &#246;           > 10 04 8D 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000021E09446C10, 16 bytes long.
 Data: <p   &#246;           > 70 04 8D 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000021E094468A0, 16 bytes long.
 Data: < &#192;&#139; &#246;           > 18 C0 8B 1E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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