Task 38664885

Name test_344-GPUGRID_TEST_ATM_100SAMPLES_20261025-0-1-RND9128_0
Workunit 31608008
Created 25 Oct 2026, 0:19:00 UTC
Sent 25 Oct 2026, 0:19:03 UTC
Report deadline 30 Oct 2026, 0:19:03 UTC
Received 25 Oct 2026, 15:15:49 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 636749
Run time 5 hours 37 min 5 sec
CPU time 5 hours 10 min 13 sec
Validate state Valid
Credit 600,000.00
Device peak FLOPS 37,942.83 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 735.94 MB
Peak swap size 13.02 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
05:38:39 (102788): wrapper (7.9.26016): starting
05:38:39 (102788): 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
05:38:41 (102788): Library/usr/bin/tar.exe exited; CPU time 0.031250
05:38:41 (102788): 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\2\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\2\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
11:14:53 (102788): C:/Windows/system32/cmd.exe exited; CPU time 18613.687500
11:14:53 (102788): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 495061349 bytes.
Dumping objects ->
{3835220} normal block at 0x000001F1C97621A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835209} normal block at 0x000001F1C9761F70, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835198} normal block at 0x000001F1C9761E90, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835187} normal block at 0x000001F1C97620C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835176} normal block at 0x000001F1C9762590, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835145} normal block at 0x000001F1CB34B080, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835134} normal block at 0x000001F1CB2915D0, 160 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) : {3835131} normal block at 0x000001F1C975BAD0, 8 bytes long.
 Data: <  m&#201;&#241;   > 00 00 6D C9 F1 01 00 00 
{3834534} normal block at 0x000001F1CB290DF0, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833949} normal block at 0x000001F1C975C3E0, 8 bytes long.
 Data: <` ?&#203;&#241;   > 60 06 3F CB F1 01 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000001F1C975DD70, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001F1C9755570, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x000001F1C9762E60, 16 bytes long.
 Data: < =v&#201;&#241;           > 88 3D 76 C9 F1 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001F1C9762AF0, 16 bytes long.
 Data: <`=v&#201;&#241;           > 60 3D 76 C9 F1 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001F1C975CC60, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x000001F1C97630E0, 16 bytes long.
 Data: <8=v&#201;&#241;           > 38 3D 76 C9 F1 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001F1C9763090, 16 bytes long.
 Data: < =v&#201;&#241;           > 10 3D 76 C9 F1 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001F1C9762B40, 16 bytes long.
 Data: <&#232;<v&#201;&#241;           > E8 3C 76 C9 F1 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001F1C9763900, 16 bytes long.
 Data: <&#192;<v&#201;&#241;           > C0 3C 76 C9 F1 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001F1C97622F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x000001F1C97633B0, 16 bytes long.
 Data: <8&#179;t&#201;&#241;           > 38 B3 74 C9 F1 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001F1C975D980, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x000001F1C9762E10, 16 bytes long.
 Data: < &#179;t&#201;&#241;           > 10 B3 74 C9 F1 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001F1C97638B0, 16 bytes long.
 Data: <&#232;&#178;t&#201;&#241;           > E8 B2 74 C9 F1 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001F1C97631D0, 16 bytes long.
 Data: <&#192;&#178;t&#201;&#241;           > C0 B2 74 C9 F1 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001F1C9762BE0, 16 bytes long.
 Data: < &#178;t&#201;&#241;           > 98 B2 74 C9 F1 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001F1C9762AA0, 16 bytes long.
 Data: <p&#178;t&#201;&#241;           > 70 B2 74 C9 F1 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001F1C9763040, 16 bytes long.
 Data: <H&#178;t&#201;&#241;           > 48 B2 74 C9 F1 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001F1C975CD80, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x000001F1C97639A0, 16 bytes long.
 Data: < &#178;t&#201;&#241;           > 20 B2 74 C9 F1 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001F1C974B220, 320 bytes long.
 Data: <&#160;9v&#201;&#241;    &#205;u&#201;&#241;   > A0 39 76 C9 F1 01 00 00 80 CD 75 C9 F1 01 00 00 
{270} normal block at 0x000001F1C9763130, 16 bytes long.
 Data: <&#160;<v&#201;&#241;           > A0 3C 76 C9 F1 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001F1C9763180, 16 bytes long.
 Data: <x<v&#201;&#241;           > 78 3C 76 C9 F1 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001F1C975D800, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x000001F1C9763860, 16 bytes long.
 Data: <P<v&#201;&#241;           > 50 3C 76 C9 F1 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001F1C975D920, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x000001F1C9763630, 16 bytes long.
 Data: < ;v&#201;&#241;           > 98 3B 76 C9 F1 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001F1C97634A0, 16 bytes long.
 Data: <p;v&#201;&#241;           > 70 3B 76 C9 F1 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001F1C9763360, 16 bytes long.
 Data: <H;v&#201;&#241;           > 48 3B 76 C9 F1 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001F1C9763810, 16 bytes long.
 Data: < ;v&#201;&#241;           > 20 3B 76 C9 F1 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001F1C9763590, 16 bytes long.
 Data: <&#248;:v&#201;&#241;           > F8 3A 76 C9 F1 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001F1C9763450, 16 bytes long.
 Data: <&#208;:v&#201;&#241;           > D0 3A 76 C9 F1 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001F1C97635E0, 16 bytes long.
 Data: < "v&#201;&#241;           > 80 22 76 C9 F1 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001F1C9762280, 40 bytes long.
 Data: <&#224;5v&#201;&#241;    &#176;4&#203;&#241;   > E0 35 76 C9 F1 01 00 00 80 B0 34 CB F1 01 00 00 
{256} normal block at 0x000001F1C9763400, 16 bytes long.
 Data: <&#176;:v&#201;&#241;           > B0 3A 76 C9 F1 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001F1C97637C0, 16 bytes long.
 Data: < :v&#201;&#241;           > 88 3A 76 C9 F1 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001F1C975D6E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x000001F1C9762D70, 16 bytes long.
 Data: <`:v&#201;&#241;           > 60 3A 76 C9 F1 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001F1C9763A60, 992 bytes long.
 Data: <p-v&#201;&#241;   &#224;&#214;u&#201;&#241;   > 70 2D 76 C9 F1 01 00 00 E0 D6 75 C9 F1 01 00 00 
{88} normal block at 0x000001F1C975D7A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x000001F1C975C250, 16 bytes long.
 Data: <p&#236;t&#201;&#241;           > 70 EC 74 C9 F1 01 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000001F1C974EC70, 40 bytes long.
 Data: <P&#194;u&#201;&#241;   &#160;&#215;u&#201;&#241;   > 50 C2 75 C9 F1 01 00 00 A0 D7 75 C9 F1 01 00 00 
{65} normal block at 0x000001F1C975C6B0, 16 bytes long.
 Data: < &#234;D&#196;&#247;           > 80 EA 44 C4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001F1C975C200, 16 bytes long.
 Data: <@&#233;D&#196;&#247;           > 40 E9 44 C4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001F1C975C7A0, 16 bytes long.
 Data: <&#248;WA&#196;&#247;           > F8 57 41 C4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001F1C975C5C0, 16 bytes long.
 Data: <&#216;WA&#196;&#247;           > D8 57 41 C4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001F1C975CA20, 16 bytes long.
 Data: <P A&#196;&#247;           > 50 04 41 C4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001F1C975BDF0, 16 bytes long.
 Data: <0 A&#196;&#247;           > 30 04 41 C4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001F1C975C660, 16 bytes long.
 Data: <&#224; A&#196;&#247;           > E0 02 41 C4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001F1C975C340, 16 bytes long.
 Data: <  A&#196;&#247;           > 10 04 41 C4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001F1C975C980, 16 bytes long.
 Data: <p A&#196;&#247;           > 70 04 41 C4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001F1C975C9D0, 16 bytes long.
 Data: < &#192;?&#196;&#247;           > 18 C0 3F C4 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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