Task 38698704

Name test_951-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND0708_0
Workunit 31639201
Created 2 Nov 2026, 23:29:57 UTC
Sent 2 Nov 2026, 23:30:01 UTC
Report deadline 7 Nov 2026, 23:30:01 UTC
Received 3 Nov 2026, 3:00:14 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 601458
Run time 3 hours 29 min 5 sec
CPU time 3 hours 25 min 27 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 1,130.95 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 674.81 MB
Peak swap size 6.69 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:32:00 (34364): wrapper (7.9.26016): starting
17:32:00 (34364): 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
17:32:02 (34364): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:32:02 (34364): 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\3\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\3\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
20:59:18 (34364): C:/Windows/system32/cmd.exe exited; CPU time 12327.593750
20:59:18 (34364): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 227513086 bytes.
Dumping objects ->
{3835208} normal block at 0x000001FEFF98BF10, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835197} normal block at 0x000001FEFF134A10, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835186} normal block at 0x000001FEFF134B60, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835175} normal block at 0x000001FEFF134930, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835164} normal block at 0x000001FEFF1348C0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835133} normal block at 0x000001FEFF9DA470, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835122} normal block at 0x000001FEFF9EC330, 85 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) : {3835119} normal block at 0x000001FEFF12EB40, 8 bytes long.
 Data: <  Q&#255;&#254;   > 00 00 51 FF FE 01 00 00 
{3834525} normal block at 0x000001FEFF9EBA70, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833951} normal block at 0x000001FEFF12E2D0, 8 bytes long.
 Data: < I&#166;&#255;&#254;   > 80 49 A6 FF FE 01 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001FEFF1300C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001FEFF125B40, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x000001FEFF1354E0, 16 bytes long.
 Data: <X_ &#255;&#254;           > 58 5F 13 FF FE 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001FEFF135A80, 16 bytes long.
 Data: <0_ &#255;&#254;           > 30 5F 13 FF FE 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001FEFF12F590, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x000001FEFF135030, 16 bytes long.
 Data: < _ &#255;&#254;           > 08 5F 13 FF FE 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001FEFF1352B0, 16 bytes long.
 Data: <&#224;^ &#255;&#254;           > E0 5E 13 FF FE 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001FEFF1350D0, 16 bytes long.
 Data: <&#184;^ &#255;&#254;           > B8 5E 13 FF FE 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001FEFF135260, 16 bytes long.
 Data: < ^ &#255;&#254;           > 90 5E 13 FF FE 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001FEFF134540, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x000001FEFF134EF0, 16 bytes long.
 Data: <&#248;&#243; &#255;&#254;           > F8 F3 11 FF FE 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001FEFF12FE30, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x000001FEFF134FE0, 16 bytes long.
 Data: <&#208;&#243; &#255;&#254;           > D0 F3 11 FF FE 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001FEFF134F90, 16 bytes long.
 Data: <&#168;&#243; &#255;&#254;           > A8 F3 11 FF FE 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001FEFF135B70, 16 bytes long.
 Data: < &#243; &#255;&#254;           > 80 F3 11 FF FE 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001FEFF134EA0, 16 bytes long.
 Data: <X&#243; &#255;&#254;           > 58 F3 11 FF FE 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001FEFF1358A0, 16 bytes long.
 Data: <0&#243; &#255;&#254;           > 30 F3 11 FF FE 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001FEFF134DB0, 16 bytes long.
 Data: < &#243; &#255;&#254;           > 08 F3 11 FF FE 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001FEFF12F290, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x000001FEFF135BC0, 16 bytes long.
 Data: <&#224;&#242; &#255;&#254;           > E0 F2 11 FF FE 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001FEFF11F2E0, 320 bytes long.
 Data: <&#192;[ &#255;&#254;    &#242; &#255;&#254;   > C0 5B 13 FF FE 01 00 00 90 F2 12 FF FE 01 00 00 
{271} normal block at 0x000001FEFF134E00, 16 bytes long.
 Data: <p^ &#255;&#254;           > 70 5E 13 FF FE 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001FEFF135300, 16 bytes long.
 Data: <H^ &#255;&#254;           > 48 5E 13 FF FE 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001FEFF12FD10, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x000001FEFF135710, 16 bytes long.
 Data: < ^ &#255;&#254;           > 20 5E 13 FF FE 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001FEFF12FA10, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x000001FEFF1359E0, 16 bytes long.
 Data: <h] &#255;&#254;           > 68 5D 13 FF FE 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001FEFF135580, 16 bytes long.
 Data: <@] &#255;&#254;           > 40 5D 13 FF FE 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001FEFF134C70, 16 bytes long.
 Data: < ] &#255;&#254;           > 18 5D 13 FF FE 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001FEFF135530, 16 bytes long.
 Data: <&#240;\ &#255;&#254;           > F0 5C 13 FF FE 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001FEFF135AD0, 16 bytes long.
 Data: <&#200;\ &#255;&#254;           > C8 5C 13 FF FE 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001FEFF1351C0, 16 bytes long.
 Data: <&#160;\ &#255;&#254;           > A0 5C 13 FF FE 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001FEFF135800, 16 bytes long.
 Data: < F &#255;&#254;           > 20 46 13 FF FE 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001FEFF134620, 40 bytes long.
 Data: < X &#255;&#254;   p&#164; &#255;&#254;   > 00 58 13 FF FE 01 00 00 70 A4 9D FF FE 01 00 00 
{257} normal block at 0x000001FEFF134CC0, 16 bytes long.
 Data: < \ &#255;&#254;           > 80 5C 13 FF FE 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001FEFF135120, 16 bytes long.
 Data: <X\ &#255;&#254;           > 58 5C 13 FF FE 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001FEFF12FB30, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x000001FEFF134E50, 16 bytes long.
 Data: <0\ &#255;&#254;           > 30 5C 13 FF FE 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001FEFF135C30, 992 bytes long.
 Data: <PN &#255;&#254;   0&#251; &#255;&#254;   > 50 4E 13 FF FE 01 00 00 30 FB 12 FF FE 01 00 00 
{89} normal block at 0x000001FEFF12F170, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x000001FEFF12EAF0, 16 bytes long.
 Data: < &#238; &#255;&#254;           > 80 EE 11 FF FE 01 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000001FEFF11EE80, 40 bytes long.
 Data: <&#240;&#234; &#255;&#254;   p&#241; &#255;&#254;   > F0 EA 12 FF FE 01 00 00 70 F1 12 FF FE 01 00 00 
{66} normal block at 0x000001FEFF12E280, 16 bytes long.
 Data: < &#234;Hb&#247;           > 80 EA 48 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001FEFF12E230, 16 bytes long.
 Data: <@&#233;Hb&#247;           > 40 E9 48 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001FEFF12E1E0, 16 bytes long.
 Data: <&#248;WEb&#247;           > F8 57 45 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001FEFF12E190, 16 bytes long.
 Data: <&#216;WEb&#247;           > D8 57 45 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001FEFF12EC80, 16 bytes long.
 Data: <P Eb&#247;           > 50 04 45 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001FEFF12E640, 16 bytes long.
 Data: <0 Eb&#247;           > 30 04 45 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001FEFF12E5F0, 16 bytes long.
 Data: <&#224; Eb&#247;           > E0 02 45 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001FEFF12EE60, 16 bytes long.
 Data: <  Eb&#247;           > 10 04 45 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001FEFF12EA50, 16 bytes long.
 Data: <p Eb&#247;           > 70 04 45 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001FEFF12EF50, 16 bytes long.
 Data: < &#192;Cb&#247;           > 18 C0 43 62 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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