Task 38678681

Name test_539-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND8757_0
Workunit 31620489
Created 26 Oct 2026, 18:10:46 UTC
Sent 26 Oct 2026, 18:10:52 UTC
Report deadline 31 Oct 2026, 18:10:52 UTC
Received 26 Oct 2026, 18:52:02 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 580989
Run time 24 min 10 sec
CPU time 21 min 15 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,239.72 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 739.44 MB
Peak swap size 12.96 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
19:28:21 (19504): wrapper (7.9.26016): starting
19:28:21 (19504): 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
19:28:22 (19504): Library/usr/bin/tar.exe exited; CPU time 0.000000
19:28:22 (19504): 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\26\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\26\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
19:51:41 (19504): C:/Windows/system32/cmd.exe exited; CPU time 1275.156250
19:51:41 (19504): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 30354337 bytes.
Dumping objects ->
{3835250} normal block at 0x0000024E4B1A6300, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835239} normal block at 0x0000024E4B1A63E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835228} normal block at 0x0000024E4B1A6B50, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835217} normal block at 0x0000024E4B1A6220, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835206} normal block at 0x0000024E4B1A6920, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835175} normal block at 0x0000024E4CE22D50, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835162} normal block at 0x0000024E4B177440, 8 bytes long.
 Data: <   KN   > 00 00 11 4B 4E 02 00 00 
{3833957} normal block at 0x0000024E4B1769F0, 8 bytes long.
 Data: <&#208;(&#235;LN   > D0 28 EB 4C 4E 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000024E4B181470, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000024E4B182370, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x0000024E4B182A50, 16 bytes long.
 Data: <&#216;< KN           > D8 3C 18 4B 4E 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000024E4B1825F0, 16 bytes long.
 Data: <&#176;< KN           > B0 3C 18 4B 4E 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000024E4B17C400, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x0000024E4B182A00, 16 bytes long.
 Data: < < KN           > 88 3C 18 4B 4E 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000024E4B1833B0, 16 bytes long.
 Data: <`< KN           > 60 3C 18 4B 4E 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000024E4B182CD0, 16 bytes long.
 Data: <8< KN           > 38 3C 18 4B 4E 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000024E4B183270, 16 bytes long.
 Data: < < KN           > 10 3C 18 4B 4E 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000024E4B17D530, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x0000024E4B1829B0, 16 bytes long.
 Data: <h&#190; KN           > 68 BE 16 4B 4E 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000024E4B17B800, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x0000024E4B182EB0, 16 bytes long.
 Data: <@&#190; KN           > 40 BE 16 4B 4E 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000024E4B182820, 16 bytes long.
 Data: < &#190; KN           > 18 BE 16 4B 4E 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000024E4B183220, 16 bytes long.
 Data: <&#240;&#189; KN           > F0 BD 16 4B 4E 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000024E4B183540, 16 bytes long.
 Data: <&#200;&#189; KN           > C8 BD 16 4B 4E 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000024E4B182C30, 16 bytes long.
 Data: <&#160;&#189; KN           > A0 BD 16 4B 4E 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000024E4B1832C0, 16 bytes long.
 Data: <x&#189; KN           > 78 BD 16 4B 4E 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000024E4B17BCE0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x0000024E4B182B40, 16 bytes long.
 Data: <P&#189; KN           > 50 BD 16 4B 4E 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000024E4B16BD50, 320 bytes long.
 Data: <@+ KN   &#224;&#188; KN   > 40 2B 18 4B 4E 02 00 00 E0 BC 17 4B 4E 02 00 00 
{274} normal block at 0x0000024E4B1834F0, 16 bytes long.
 Data: <&#240;; KN           > F0 3B 18 4B 4E 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000024E4B183450, 16 bytes long.
 Data: <&#200;; KN           > C8 3B 18 4B 4E 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000024E4B17BE60, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x0000024E4B183180, 16 bytes long.
 Data: <&#160;; KN           > A0 3B 18 4B 4E 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000024E4B17C280, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x0000024E4B182960, 16 bytes long.
 Data: <&#232;: KN           > E8 3A 18 4B 4E 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000024E4B183090, 16 bytes long.
 Data: <&#192;: KN           > C0 3A 18 4B 4E 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000024E4B182C80, 16 bytes long.
 Data: < : KN           > 98 3A 18 4B 4E 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000024E4B182F50, 16 bytes long.
 Data: <p: KN           > 70 3A 18 4B 4E 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000024E4B1831D0, 16 bytes long.
 Data: <H: KN           > 48 3A 18 4B 4E 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000024E4B182910, 16 bytes long.
 Data: < : KN           > 20 3A 18 4B 4E 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000024E4B182640, 16 bytes long.
 Data: <&#240;&#207; KN           > F0 CF 17 4B 4E 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000024E4B17CFF0, 40 bytes long.
 Data: <@& KN   P-&#226;LN   > 40 26 18 4B 4E 02 00 00 50 2D E2 4C 4E 02 00 00 
{260} normal block at 0x0000024E4B183040, 16 bytes long.
 Data: < : KN           > 00 3A 18 4B 4E 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000024E4B1828C0, 16 bytes long.
 Data: <&#216;9 KN           > D8 39 18 4B 4E 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000024E4B17C1C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x0000024E4B182BE0, 16 bytes long.
 Data: <&#176;9 KN           > B0 39 18 4B 4E 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000024E4B1839B0, 992 bytes long.
 Data: <&#224;+ KN   &#192;&#193; KN   > E0 2B 18 4B 4E 02 00 00 C0 C1 17 4B 4E 02 00 00 
{92} normal block at 0x0000024E4B17C520, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x0000024E4B177120, 16 bytes long.
 Data: <&#240;&#214; KN           > F0 D6 17 4B 4E 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000024E4B17D6F0, 40 bytes long.
 Data: < q KN    &#197; KN   > 20 71 17 4B 4E 02 00 00 20 C5 17 4B 4E 02 00 00 
{69} normal block at 0x0000024E4B176F40, 16 bytes long.
 Data: < &#234;&#182; &#247;           > 80 EA B6 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000024E4B176950, 16 bytes long.
 Data: <@&#233;&#182; &#247;           > 40 E9 B6 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000024E4B1773A0, 16 bytes long.
 Data: <&#248;W&#179; &#247;           > F8 57 B3 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000024E4B1770D0, 16 bytes long.
 Data: <&#216;W&#179; &#247;           > D8 57 B3 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000024E4B176B80, 16 bytes long.
 Data: <P &#179; &#247;           > 50 04 B3 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000024E4B1775D0, 16 bytes long.
 Data: <0 &#179; &#247;           > 30 04 B3 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000024E4B176860, 16 bytes long.
 Data: <&#224; &#179; &#247;           > E0 02 B3 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000024E4B177260, 16 bytes long.
 Data: <  &#179; &#247;           > 10 04 B3 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000024E4B177210, 16 bytes long.
 Data: <p &#179; &#247;           > 70 04 B3 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000024E4B177580, 16 bytes long.
 Data: < &#192;&#177; &#247;           > 18 C0 B1 00 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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