Task 38669740

Name test_933-GPUGRID_TEST_ATM_40STEP_20261023-9-40-RND3941_1
Workunit 31608212
Created 25 Oct 2026, 15:27:40 UTC
Sent 25 Oct 2026, 15:28:00 UTC
Report deadline 30 Oct 2026, 15:28:00 UTC
Received 25 Oct 2026, 17:37:24 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654846
Run time 50 min
CPU time 43 min 9 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,171.24 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 669.45 MB
Peak swap size 3.08 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:46:38 (4356): wrapper (7.9.26016): starting
18:46:38 (4356): 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
18:46:40 (4356): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:46:40 (4356): 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 'D:\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 'D:\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
19:35:11 (4356): C:/Windows/system32/cmd.exe exited; CPU time 2589.687500
19:35:11 (4356): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 bytes in 8 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: 33181297 bytes.
Dumping objects ->
{3835253} normal block at 0x0000023BFEB24790, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835242} normal block at 0x0000023BFEB24410, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835231} normal block at 0x0000023BFEB243A0, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835220} normal block at 0x0000023BFD07B610, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835209} normal block at 0x0000023BFD07B5A0, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835178} normal block at 0x0000023BFEB9C8D0, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835167} normal block at 0x0000023BFEB10DB0, 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) : {3835164} normal block at 0x0000023BFD0767B0, 8 bytes long.
 Data: <   &#253;;   > 00 00 03 FD 3B 02 00 00 
{3834552} normal block at 0x0000023BFEB11050, 160 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833943} normal block at 0x0000023BFD076530, 8 bytes long.
 Data: <  &#200;&#254;;   > 00 88 C8 FE 3B 02 00 00 
..\zip\boinc_zip.cpp(122) : {303} normal block at 0x0000023BFD081320, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000023BFD06B6F0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{287} normal block at 0x0000023BFD082F40, 16 bytes long.
 Data: <&#168;J &#253;;           > A8 4A 08 FD 3B 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000023BFD082E50, 16 bytes long.
 Data: < J &#253;;           > 80 4A 08 FD 3B 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000023BFD07D030, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{284} normal block at 0x0000023BFD0831C0, 16 bytes long.
 Data: <XJ &#253;;           > 58 4A 08 FD 3B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000023BFD0824F0, 16 bytes long.
 Data: <0J &#253;;           > 30 4A 08 FD 3B 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000023BFD082860, 16 bytes long.
 Data: < J &#253;;           > 08 4A 08 FD 3B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000023BFD0825E0, 16 bytes long.
 Data: <&#224;I &#253;;           > E0 49 08 FD 3B 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000023BFD07B300, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{279} normal block at 0x0000023BFD082D60, 16 bytes long.
 Data: <&#232;&#179; &#253;;           > E8 B3 06 FD 3B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000023BFD07CF70, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{277} normal block at 0x0000023BFD082D10, 16 bytes long.
 Data: <&#192;&#179; &#253;;           > C0 B3 06 FD 3B 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000023BFD082CC0, 16 bytes long.
 Data: < &#179; &#253;;           > 98 B3 06 FD 3B 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000023BFD082C70, 16 bytes long.
 Data: <p&#179; &#253;;           > 70 B3 06 FD 3B 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000023BFD083170, 16 bytes long.
 Data: <H&#179; &#253;;           > 48 B3 06 FD 3B 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000023BFD082A40, 16 bytes long.
 Data: < &#179; &#253;;           > 20 B3 06 FD 3B 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000023BFD082720, 16 bytes long.
 Data: <&#248;&#178; &#253;;           > F8 B2 06 FD 3B 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000023BFD07D870, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{269} normal block at 0x0000023BFD083300, 16 bytes long.
 Data: <&#208;&#178; &#253;;           > D0 B2 06 FD 3B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000023BFD06B2D0, 320 bytes long.
 Data: < 3 &#253;;   p&#216; &#253;;   > 00 33 08 FD 3B 02 00 00 70 D8 07 FD 3B 02 00 00 
{267} normal block at 0x0000023BFD083120, 16 bytes long.
 Data: <&#192;I &#253;;           > C0 49 08 FD 3B 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000023BFD0823B0, 16 bytes long.
 Data: < I &#253;;           > 98 49 08 FD 3B 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000023BFD07CF10, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{264} normal block at 0x0000023BFD083030, 16 bytes long.
 Data: <pI &#253;;           > 70 49 08 FD 3B 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000023BFD07D450, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{262} normal block at 0x0000023BFD082EF0, 16 bytes long.
 Data: <&#184;H &#253;;           > B8 48 08 FD 3B 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000023BFD082E00, 16 bytes long.
 Data: < H &#253;;           > 90 48 08 FD 3B 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000023BFD082B30, 16 bytes long.
 Data: <hH &#253;;           > 68 48 08 FD 3B 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000023BFD0826D0, 16 bytes long.
 Data: <@H &#253;;           > 40 48 08 FD 3B 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000023BFD0830D0, 16 bytes long.
 Data: < H &#253;;           > 18 48 08 FD 3B 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000023BFD082C20, 16 bytes long.
 Data: <&#240;G &#253;;           > F0 47 08 FD 3B 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000023BFD082590, 16 bytes long.
 Data: < &#182; &#253;;           > 80 B6 07 FD 3B 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000023BFD07B680, 40 bytes long.
 Data: < % &#253;;   &#208;&#200;&#185;&#254;;   > 90 25 08 FD 3B 02 00 00 D0 C8 B9 FE 3B 02 00 00 
{253} normal block at 0x0000023BFD082450, 16 bytes long.
 Data: <&#208;G &#253;;           > D0 47 08 FD 3B 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000023BFD0829F0, 16 bytes long.
 Data: <&#168;G &#253;;           > A8 47 08 FD 3B 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000023BFD07D810, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{250} normal block at 0x0000023BFD082810, 16 bytes long.
 Data: < G &#253;;           > 80 47 08 FD 3B 02 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x0000023BFD084780, 992 bytes long.
 Data: < ( &#253;;    &#216; &#253;;   > 10 28 08 FD 3B 02 00 00 10 D8 07 FD 3B 02 00 00 
{85} normal block at 0x0000023BFD07CD30, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{84} normal block at 0x0000023BFD076DA0, 16 bytes long.
 Data: < &#178; &#253;;           > 20 B2 07 FD 3B 02 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x0000023BFD07B220, 40 bytes long.
 Data: <&#160;m &#253;;   0&#205; &#253;;   > A0 6D 07 FD 3B 02 00 00 30 CD 07 FD 3B 02 00 00 
{62} normal block at 0x0000023BFD076C10, 16 bytes long.
 Data: < &#234; &#237;&#247;           > 80 EA 01 ED F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000023BFD0773E0, 16 bytes long.
 Data: <@&#233; &#237;&#247;           > 40 E9 01 ED F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000023BFD077390, 16 bytes long.
 Data: <&#248;W&#254;&#236;&#247;           > F8 57 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000023BFD076760, 16 bytes long.
 Data: <&#216;W&#254;&#236;&#247;           > D8 57 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000023BFD076710, 16 bytes long.
 Data: <P &#254;&#236;&#247;           > 50 04 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000023BFD0772A0, 16 bytes long.
 Data: <0 &#254;&#236;&#247;           > 30 04 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000023BFD077070, 16 bytes long.
 Data: <&#224; &#254;&#236;&#247;           > E0 02 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000023BFD076940, 16 bytes long.
 Data: <  &#254;&#236;&#247;           > 10 04 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000023BFD076620, 16 bytes long.
 Data: <p &#254;&#236;&#247;           > 70 04 FE EC F7 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x0000023BFD077340, 16 bytes long.
 Data: < &#192;&#252;&#236;&#247;           > 18 C0 FC EC F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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