Task 38675189

Name test_967-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND6457_0
Workunit 31617185
Created 26 Oct 2026, 7:35:05 UTC
Sent 26 Oct 2026, 7:35:11 UTC
Report deadline 31 Oct 2026, 7:35:11 UTC
Received 26 Oct 2026, 8:10:40 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654838
Run time 15 min 20 sec
CPU time 14 min 41 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 82,578.99 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 733.24 MB
Peak swap size 13.29 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:55:31 (40580): wrapper (7.9.26016): starting
03:55:31 (40580): 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
03:55:32 (40580): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:55:32 (40580): 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\0\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\0\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
04:10:12 (40580): C:/Windows/system32/cmd.exe exited; CPU time 881.250000
04:10:12 (40580): 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: 21312213 bytes.
Dumping objects ->
{3835501} normal block at 0x0000028B09D03230, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835490} normal block at 0x0000028B09D02F90, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835479} normal block at 0x0000028B09D02D60, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835468} normal block at 0x0000028B09D033F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835457} normal block at 0x0000028B09D02F20, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835426} normal block at 0x0000028B0BAAB280, 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) : {3835413} normal block at 0x0000028B09CFD110, 8 bytes long.
 Data: <  4 &#139;   > 00 00 34 0A 8B 02 00 00 
{3833939} normal block at 0x0000028B09CFD250, 8 bytes long.
 Data: < &#233;&#221;	&#139;   > 90 E9 DD 09 8B 02 00 00 
..\zip\boinc_zip.cpp(122) : {301} normal block at 0x0000028B09CFDD10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000028B09CF57D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{285} normal block at 0x0000028B09D04940, 16 bytes long.
 Data: <(;&#208;	&#139;           > 28 3B D0 09 8B 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000028B09D03C70, 16 bytes long.
 Data: < ;&#208;	&#139;           > 00 3B D0 09 8B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000028B09D020D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{282} normal block at 0x0000028B09D04760, 16 bytes long.
 Data: <&#216;:&#208;	&#139;           > D8 3A D0 09 8B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000028B09D04A30, 16 bytes long.
 Data: <&#176;:&#208;	&#139;           > B0 3A D0 09 8B 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000028B09D048F0, 16 bytes long.
 Data: < :&#208;	&#139;           > 88 3A D0 09 8B 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000028B09D042B0, 16 bytes long.
 Data: <`:&#208;	&#139;           > 60 3A D0 09 8B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000028B09D03310, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{277} normal block at 0x0000028B09D03F40, 16 bytes long.
 Data: <H&#147;&#207;	&#139;           > 48 93 CF 09 8B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000028B09D01B30, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{275} normal block at 0x0000028B09D043A0, 16 bytes long.
 Data: < &#147;&#207;	&#139;           > 20 93 CF 09 8B 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000028B09D04BC0, 16 bytes long.
 Data: <&#248;&#146;&#207;	&#139;           > F8 92 CF 09 8B 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000028B09D04990, 16 bytes long.
 Data: <&#208;&#146;&#207;	&#139;           > D0 92 CF 09 8B 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000028B09D04800, 16 bytes long.
 Data: <&#168;&#146;&#207;	&#139;           > A8 92 CF 09 8B 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000028B09D04580, 16 bytes long.
 Data: < &#146;&#207;	&#139;           > 80 92 CF 09 8B 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000028B09D04170, 16 bytes long.
 Data: <X&#146;&#207;	&#139;           > 58 92 CF 09 8B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000028B09D01C50, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{267} normal block at 0x0000028B09D045D0, 16 bytes long.
 Data: <0&#146;&#207;	&#139;           > 30 92 CF 09 8B 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000028B09CF9230, 320 bytes long.
 Data: <&#208;E&#208;	&#139;   P &#208;	&#139;   > D0 45 D0 09 8B 02 00 00 50 1C D0 09 8B 02 00 00 
{265} normal block at 0x0000028B09D03D10, 16 bytes long.
 Data: <@:&#208;	&#139;           > 40 3A D0 09 8B 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000028B09D04260, 16 bytes long.
 Data: < :&#208;	&#139;           > 18 3A D0 09 8B 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000028B09D02730, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{262} normal block at 0x0000028B09D04030, 16 bytes long.
 Data: <&#240;9&#208;	&#139;           > F0 39 D0 09 8B 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000028B09D01B90, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{260} normal block at 0x0000028B09D048A0, 16 bytes long.
 Data: <89&#208;	&#139;           > 38 39 D0 09 8B 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000028B09D04670, 16 bytes long.
 Data: < 9&#208;	&#139;           > 10 39 D0 09 8B 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000028B09D044E0, 16 bytes long.
 Data: <&#232;8&#208;	&#139;           > E8 38 D0 09 8B 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000028B09D04490, 16 bytes long.
 Data: <&#192;8&#208;	&#139;           > C0 38 D0 09 8B 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000028B09CFD2A0, 16 bytes long.
 Data: < 8&#208;	&#139;           > 98 38 D0 09 8B 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000028B09CFCEE0, 16 bytes long.
 Data: <p8&#208;	&#139;           > 70 38 D0 09 8B 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000028B09CFCE40, 16 bytes long.
 Data: <&#224;0&#208;	&#139;           > E0 30 D0 09 8B 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000028B09D030E0, 40 bytes long.
 Data: <@&#206;&#207;	&#139;    &#178;&#170; &#139;   > 40 CE CF 09 8B 02 00 00 80 B2 AA 0B 8B 02 00 00 
{251} normal block at 0x0000028B09CFCB70, 16 bytes long.
 Data: <P8&#208;	&#139;           > 50 38 D0 09 8B 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x0000028B09CFC9E0, 16 bytes long.
 Data: <(8&#208;	&#139;           > 28 38 D0 09 8B 02 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x0000028B09D01950, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{248} normal block at 0x0000028B09CFCD00, 16 bytes long.
 Data: < 8&#208;	&#139;           > 00 38 D0 09 8B 02 00 00 00 00 00 00 00 00 00 00 
{247} normal block at 0x0000028B09D03800, 992 bytes long.
 Data: < &#205;&#207;	&#139;   P &#208;	&#139;   > 00 CD CF 09 8B 02 00 00 50 19 D0 09 8B 02 00 00 
{83} normal block at 0x0000028B09D026D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{82} normal block at 0x0000028B09CFCC60, 16 bytes long.
 Data: <0&#217;&#206;	&#139;           > 30 D9 CE 09 8B 02 00 00 00 00 00 00 00 00 00 00 
{81} normal block at 0x0000028B09CED930, 40 bytes long.
 Data: <`&#204;&#207;	&#139;   &#208;&&#208;	&#139;   > 60 CC CF 09 8B 02 00 00 D0 26 D0 09 8B 02 00 00 
{60} normal block at 0x0000028B09CFD0C0, 16 bytes long.
 Data: < &#234;^S&#247;           > 80 EA 5E 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000028B09CFCAD0, 16 bytes long.
 Data: <@&#233;^S&#247;           > 40 E9 5E 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000028B09CFCBC0, 16 bytes long.
 Data: <&#248;W[S&#247;           > F8 57 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000028B09CFCA30, 16 bytes long.
 Data: <&#216;W[S&#247;           > D8 57 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000028B09CFCDA0, 16 bytes long.
 Data: <P [S&#247;           > 50 04 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000028B09CFC940, 16 bytes long.
 Data: <0 [S&#247;           > 30 04 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000028B09CFCFD0, 16 bytes long.
 Data: <&#224; [S&#247;           > E0 02 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x0000028B09CFD570, 16 bytes long.
 Data: <  [S&#247;           > 10 04 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{52} normal block at 0x0000028B09CFD020, 16 bytes long.
 Data: <p [S&#247;           > 70 04 5B 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
{51} normal block at 0x0000028B09CFD160, 16 bytes long.
 Data: < &#192;YS&#247;           > 18 C0 59 53 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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