Task 38685384

Name test_688-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND5708_0
Workunit 31626853
Created 27 Oct 2026, 20:48:01 UTC
Sent 27 Oct 2026, 20:48:02 UTC
Report deadline 1 Nov 2026, 20:48:02 UTC
Received 28 Oct 2026, 0:46:16 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 550227
Run time 1 hours 29 min
CPU time 1 hours 17 min 11 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 671.41 MB
Peak swap size 5.23 GB
Peak disk usage 4.19 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
16:17:37 (17220): wrapper (7.9.26016): starting
16:17:37 (17220): 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
16:17:42 (17220): Library/usr/bin/tar.exe exited; CPU time 0.015625
16:17:42 (17220): 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
17:45:30 (17220): C:/Windows/system32/cmd.exe exited; CPU time 4631.718750
17:45:30 (17220): 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: 75364901 bytes.
Dumping objects ->
{3835221} normal block at 0x000001B277960B70, 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 0x000001B2779616D0, 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 0x000001B277960FD0, 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 0x000001B277960F60, 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 0x000001B277960940, 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 0x000001B277A6BE80, 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 0x000001B275F05D10, 8 bytes long.
 Data: <  &#234;u&#178;   > 00 00 EA 75 B2 01 00 00 
{3833949} normal block at 0x000001B275F06030, 8 bytes long.
 Data: < &#233;&#150;w&#178;   > 10 E9 96 77 B2 01 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000001B275F10140, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001B275EFB320, 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 0x000001B275F11C70, 16 bytes long.
 Data: < 7&#241;u&#178;           > 88 37 F1 75 B2 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001B275F11BD0, 16 bytes long.
 Data: <`7&#241;u&#178;           > 60 37 F1 75 B2 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001B275F0AFA0, 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 0x000001B275F11360, 16 bytes long.
 Data: <87&#241;u&#178;           > 38 37 F1 75 B2 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001B275F11B80, 16 bytes long.
 Data: < 7&#241;u&#178;           > 10 37 F1 75 B2 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001B275F11DB0, 16 bytes long.
 Data: <&#232;6&#241;u&#178;           > E8 36 F1 75 B2 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001B275F11130, 16 bytes long.
 Data: <&#192;6&#241;u&#178;           > C0 36 F1 75 B2 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001B275F0C6E0, 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 0x000001B275F11B30, 16 bytes long.
 Data: < &#191;&#239;u&#178;           > 98 BF EF 75 B2 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001B275F0B300, 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 0x000001B275F11860, 16 bytes long.
 Data: <p&#191;&#239;u&#178;           > 70 BF EF 75 B2 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001B275F112C0, 16 bytes long.
 Data: <H&#191;&#239;u&#178;           > 48 BF EF 75 B2 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001B275F11C20, 16 bytes long.
 Data: < &#191;&#239;u&#178;           > 20 BF EF 75 B2 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001B275F11680, 16 bytes long.
 Data: <&#248;&#190;&#239;u&#178;           > F8 BE EF 75 B2 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001B275F11D60, 16 bytes long.
 Data: <&#208;&#190;&#239;u&#178;           > D0 BE EF 75 B2 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001B275F11AE0, 16 bytes long.
 Data: <&#168;&#190;&#239;u&#178;           > A8 BE EF 75 B2 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001B275F0AD00, 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 0x000001B275F110E0, 16 bytes long.
 Data: < &#190;&#239;u&#178;           > 80 BE EF 75 B2 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001B275EFBE80, 320 bytes long.
 Data: <&#224; &#241;u&#178;    &#173;&#240;u&#178;   > E0 10 F1 75 B2 01 00 00 00 AD F0 75 B2 01 00 00 
{270} normal block at 0x000001B275F118B0, 16 bytes long.
 Data: <&#160;6&#241;u&#178;           > A0 36 F1 75 B2 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001B275F11090, 16 bytes long.
 Data: <x6&#241;u&#178;           > 78 36 F1 75 B2 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001B275F0A760, 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 0x000001B275F11720, 16 bytes long.
 Data: <P6&#241;u&#178;           > 50 36 F1 75 B2 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001B275F0B2A0, 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 0x000001B275F11D10, 16 bytes long.
 Data: < 5&#241;u&#178;           > 98 35 F1 75 B2 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001B275F11810, 16 bytes long.
 Data: <p5&#241;u&#178;           > 70 35 F1 75 B2 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001B275F114A0, 16 bytes long.
 Data: <H5&#241;u&#178;           > 48 35 F1 75 B2 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001B275F114F0, 16 bytes long.
 Data: < 5&#241;u&#178;           > 20 35 F1 75 B2 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001B275F11CC0, 16 bytes long.
 Data: <&#248;4&#241;u&#178;           > F8 34 F1 75 B2 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001B275F115E0, 16 bytes long.
 Data: <&#208;4&#241;u&#178;           > D0 34 F1 75 B2 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001B275F11A90, 16 bytes long.
 Data: <&#176;&#203;&#240;u&#178;           > B0 CB F0 75 B2 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001B275F0CBB0, 40 bytes long.
 Data: <  &#241;u&#178;    &#190;&#166;w&#178;   > 90 1A F1 75 B2 01 00 00 80 BE A6 77 B2 01 00 00 
{256} normal block at 0x000001B275F11A40, 16 bytes long.
 Data: <&#176;4&#241;u&#178;           > B0 34 F1 75 B2 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001B275F119A0, 16 bytes long.
 Data: < 4&#241;u&#178;           > 88 34 F1 75 B2 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001B275F0AB80, 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 0x000001B275F11590, 16 bytes long.
 Data: <`4&#241;u&#178;           > 60 34 F1 75 B2 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001B275F13460, 992 bytes long.
 Data: <  &#241;u&#178;    &#171;&#240;u&#178;   > 90 15 F1 75 B2 01 00 00 80 AB F0 75 B2 01 00 00 
{88} normal block at 0x000001B275F0A880, 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 0x000001B275F06210, 16 bytes long.
 Data: < &#201;&#240;u&#178;           > 80 C9 F0 75 B2 01 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000001B275F0C980, 40 bytes long.
 Data: < b&#240;u&#178;    &#168;&#240;u&#178;   > 10 62 F0 75 B2 01 00 00 80 A8 F0 75 B2 01 00 00 
{65} normal block at 0x000001B275F06440, 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 0x000001B275F06530, 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 0x000001B275F063A0, 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 0x000001B275F05FE0, 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 0x000001B275F05F90, 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 0x000001B275F06670, 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 0x000001B275F05F40, 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 0x000001B275F05EF0, 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 0x000001B275F06300, 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 0x000001B275F066C0, 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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