Task 38684942

Name test_478-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND5382_0
Workunit 31626440
Created 27 Oct 2026, 18:41:38 UTC
Sent 27 Oct 2026, 18:41:54 UTC
Report deadline 1 Nov 2026, 18:41:54 UTC
Received 27 Oct 2026, 23:12:53 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 550227
Run time 1 hours 30 min 53 sec
CPU time 1 hours 17 min 42 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,806.17 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 676.47 MB
Peak swap size 5.23 GB
Peak disk usage 3.24 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
14:45:09 (24052): wrapper (7.9.26016): starting
14:45:09 (24052): 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
14:45:13 (24052): Library/usr/bin/tar.exe exited; CPU time 0.015625
14:45:13 (24052): 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
16:12:05 (24052): C:/Windows/system32/cmd.exe exited; CPU time 4662.421875
16:12:05 (24052): 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: 74040001 bytes.
Dumping objects ->
{3835221} normal block at 0x00000163FEED0E10, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835210} normal block at 0x00000163FEED1580, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835199} normal block at 0x00000163FEED1270, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835188} normal block at 0x00000163FEED0DA0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835177} normal block at 0x00000163FEED1430, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835146} normal block at 0x00000163FEF7BC00, 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) : {3835133} normal block at 0x00000163FE816490, 8 bytes long.
 Data: <  |&#254;c   > 00 00 7C FE 63 01 00 00 
{3833949} normal block at 0x00000163FE8164E0, 8 bytes long.
 Data: < >	&#255;c   > 80 3E 09 FF 63 01 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x00000163FE820140, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000163FE80B320, 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 0x00000163FE821FE0, 16 bytes long.
 Data: < 7&#130;&#254;c           > 88 37 82 FE 63 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000163FE8214A0, 16 bytes long.
 Data: <`7&#130;&#254;c           > 60 37 82 FE 63 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000163FE81B060, 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 0x00000163FE821090, 16 bytes long.
 Data: <87&#130;&#254;c           > 38 37 82 FE 63 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000163FE821B30, 16 bytes long.
 Data: < 7&#130;&#254;c           > 10 37 82 FE 63 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000163FE821D60, 16 bytes long.
 Data: <&#232;6&#130;&#254;c           > E8 36 82 FE 63 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000163FE8219A0, 16 bytes long.
 Data: <&#192;6&#130;&#254;c           > C0 36 82 FE 63 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000163FE81C7C0, 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 0x00000163FE8215E0, 16 bytes long.
 Data: < &#191; &#254;c           > 88 BF 80 FE 63 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000163FE81B000, 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 0x00000163FE821400, 16 bytes long.
 Data: <`&#191; &#254;c           > 60 BF 80 FE 63 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000163FE821950, 16 bytes long.
 Data: <8&#191; &#254;c           > 38 BF 80 FE 63 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000163FE8212C0, 16 bytes long.
 Data: < &#191; &#254;c           > 10 BF 80 FE 63 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000163FE821F90, 16 bytes long.
 Data: <&#232;&#190; &#254;c           > E8 BE 80 FE 63 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000163FE821AE0, 16 bytes long.
 Data: <&#192;&#190; &#254;c           > C0 BE 80 FE 63 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000163FE821A90, 16 bytes long.
 Data: < &#190; &#254;c           > 98 BE 80 FE 63 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000163FE81ADC0, 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 0x00000163FE8213B0, 16 bytes long.
 Data: <p&#190; &#254;c           > 70 BE 80 FE 63 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000163FE80BE70, 320 bytes long.
 Data: <&#176; &#130;&#254;c   &#192;&#173; &#254;c   > B0 13 82 FE 63 01 00 00 C0 AD 81 FE 63 01 00 00 
{270} normal block at 0x00000163FE821680, 16 bytes long.
 Data: <&#160;6&#130;&#254;c           > A0 36 82 FE 63 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000163FE821360, 16 bytes long.
 Data: <x6&#130;&#254;c           > 78 36 82 FE 63 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000163FE81B480, 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 0x00000163FE821310, 16 bytes long.
 Data: <P6&#130;&#254;c           > 50 36 82 FE 63 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000163FE81B3C0, 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 0x00000163FE821900, 16 bytes long.
 Data: < 5&#130;&#254;c           > 98 35 82 FE 63 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000163FE8214F0, 16 bytes long.
 Data: <p5&#130;&#254;c           > 70 35 82 FE 63 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000163FE8216D0, 16 bytes long.
 Data: <H5&#130;&#254;c           > 48 35 82 FE 63 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000163FE821DB0, 16 bytes long.
 Data: < 5&#130;&#254;c           > 20 35 82 FE 63 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000163FE821450, 16 bytes long.
 Data: <&#248;4&#130;&#254;c           > F8 34 82 FE 63 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000163FE8218B0, 16 bytes long.
 Data: <&#208;4&#130;&#254;c           > D0 34 82 FE 63 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000163FE821C20, 16 bytes long.
 Data: < &#198; &#254;c           > 00 C6 81 FE 63 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000163FE81C600, 40 bytes long.
 Data: <  &#130;&#254;c    &#188;&#247;&#254;c   > 20 1C 82 FE 63 01 00 00 00 BC F7 FE 63 01 00 00 
{256} normal block at 0x00000163FE8217C0, 16 bytes long.
 Data: <&#176;4&#130;&#254;c           > B0 34 82 FE 63 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000163FE821630, 16 bytes long.
 Data: < 4&#130;&#254;c           > 88 34 82 FE 63 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000163FE81AE80, 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 0x00000163FE821BD0, 16 bytes long.
 Data: <`4&#130;&#254;c           > 60 34 82 FE 63 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x00000163FE823460, 992 bytes long.
 Data: <&#208; &#130;&#254;c    &#174; &#254;c   > D0 1B 82 FE 63 01 00 00 80 AE 81 FE 63 01 00 00 
{88} normal block at 0x00000163FE81A820, 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 0x00000163FE816940, 16 bytes long.
 Data: < &#205; &#254;c           > 00 CD 81 FE 63 01 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x00000163FE81CD00, 40 bytes long.
 Data: <@i &#254;c    &#168; &#254;c   > 40 69 81 FE 63 01 00 00 20 A8 81 FE 63 01 00 00 
{65} normal block at 0x00000163FE816440, 16 bytes long.
 Data: < &#234;Q&#201;&#247;           > 80 EA 51 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000163FE816300, 16 bytes long.
 Data: <@&#233;Q&#201;&#247;           > 40 E9 51 C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000163FE8162B0, 16 bytes long.
 Data: <&#248;WN&#201;&#247;           > F8 57 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000163FE815C70, 16 bytes long.
 Data: <&#216;WN&#201;&#247;           > D8 57 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000163FE816850, 16 bytes long.
 Data: <P N&#201;&#247;           > 50 04 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000163FE816260, 16 bytes long.
 Data: <0 N&#201;&#247;           > 30 04 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000163FE816210, 16 bytes long.
 Data: <&#224; N&#201;&#247;           > E0 02 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000163FE816170, 16 bytes long.
 Data: <  N&#201;&#247;           > 10 04 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000163FE8163A0, 16 bytes long.
 Data: <p N&#201;&#247;           > 70 04 4E C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000163FE816120, 16 bytes long.
 Data: < &#192;L&#201;&#247;           > 18 C0 4C C9 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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