Task 38687980

Name test_999-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND0548_0
Workunit 31629350
Created 28 Oct 2026, 10:51:20 UTC
Sent 28 Oct 2026, 10:51:22 UTC
Report deadline 2 Nov 2026, 10:51:22 UTC
Received 28 Oct 2026, 11:37:15 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 550955
Run time 40 min 27 sec
CPU time 33 min 46 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 23,243.30 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 723.11 MB
Peak swap size 9.90 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:57:39 (21320): wrapper (7.9.26016): starting
11:57:39 (21320): 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
11:57:41 (21320): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:57:41 (21320): 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
12:36:50 (21320): C:/Windows/system32/cmd.exe exited; CPU time 2026.406250
12:36:50 (21320): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 31388735 bytes.
Dumping objects ->
{3835234} normal block at 0x000002C73773C7B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x000002C73773CE40, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835212} normal block at 0x000002C73773C900, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835201} normal block at 0x000002C73773CA50, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835190} normal block at 0x000002C7359A4FF0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835159} normal block at 0x000002C737784020, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835148} normal block at 0x000002C73779E660, 102 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) : {3835145} normal block at 0x000002C73599F280, 8 bytes long.
 Data: <   6&#199;   > 00 00 05 36 C7 02 00 00 
{3834542} normal block at 0x000002C73779ED40, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000002C73599F910, 8 bytes long.
 Data: <&#240;O~7&#199;   > F0 4F 7E 37 C7 02 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000002C7359A17A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002C735996B00, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000002C7359A6280, 16 bytes long.
 Data: <8i&#154;5&#199;           > 38 69 9A 35 C7 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002C7359A5A10, 16 bytes long.
 Data: < i&#154;5&#199;           > 10 69 9A 35 C7 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002C73599FF30, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000002C7359A5E70, 16 bytes long.
 Data: <&#232;h&#154;5&#199;           > E8 68 9A 35 C7 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002C7359A5B00, 16 bytes long.
 Data: <&#192;h&#154;5&#199;           > C0 68 9A 35 C7 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002C7359A5C90, 16 bytes long.
 Data: < h&#154;5&#199;           > 98 68 9A 35 C7 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002C7359A6230, 16 bytes long.
 Data: <ph&#154;5&#199;           > 70 68 9A 35 C7 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002C7359A4DC0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000002C7359A5A60, 16 bytes long.
 Data: < &#240; 5&#199;           > 98 F0 98 35 C7 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002C73599FC90, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000002C7359A5920, 16 bytes long.
 Data: <p&#240; 5&#199;           > 70 F0 98 35 C7 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002C7359A6370, 16 bytes long.
 Data: <H&#240; 5&#199;           > 48 F0 98 35 C7 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002C7359A5E20, 16 bytes long.
 Data: < &#240; 5&#199;           > 20 F0 98 35 C7 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002C7359A6190, 16 bytes long.
 Data: <&#248;&#239; 5&#199;           > F8 EF 98 35 C7 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002C7359A6550, 16 bytes long.
 Data: <&#208;&#239; 5&#199;           > D0 EF 98 35 C7 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002C7359A6050, 16 bytes long.
 Data: <&#168;&#239; 5&#199;           > A8 EF 98 35 C7 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002C7359A08F0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000002C7359A6500, 16 bytes long.
 Data: < &#239; 5&#199;           > 80 EF 98 35 C7 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002C73598EF80, 320 bytes long.
 Data: < e&#154;5&#199;   &#240; &#154;5&#199;   > 00 65 9A 35 C7 02 00 00 F0 08 9A 35 C7 02 00 00 
{276} normal block at 0x000002C7359A65A0, 16 bytes long.
 Data: <Ph&#154;5&#199;           > 50 68 9A 35 C7 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002C7359A64B0, 16 bytes long.
 Data: <(h&#154;5&#199;           > 28 68 9A 35 C7 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002C7359A0290, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000002C7359A6460, 16 bytes long.
 Data: < h&#154;5&#199;           > 00 68 9A 35 C7 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002C7359A05F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000002C7359A59C0, 16 bytes long.
 Data: <Hg&#154;5&#199;           > 48 67 9A 35 C7 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002C7359A61E0, 16 bytes long.
 Data: < g&#154;5&#199;           > 20 67 9A 35 C7 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002C7359A5C40, 16 bytes long.
 Data: <&#248;f&#154;5&#199;           > F8 66 9A 35 C7 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002C7359A57E0, 16 bytes long.
 Data: <&#208;f&#154;5&#199;           > D0 66 9A 35 C7 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002C7359A60F0, 16 bytes long.
 Data: <&#168;f&#154;5&#199;           > A8 66 9A 35 C7 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002C7359A6410, 16 bytes long.
 Data: < f&#154;5&#199;           > 80 66 9A 35 C7 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002C7359A5D80, 16 bytes long.
 Data: < K&#154;5&#199;           > 20 4B 9A 35 C7 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002C7359A4B20, 40 bytes long.
 Data: < ]&#154;5&#199;    @x7&#199;   > 80 5D 9A 35 C7 02 00 00 20 40 78 37 C7 02 00 00 
{262} normal block at 0x000002C7359A5D30, 16 bytes long.
 Data: <`f&#154;5&#199;           > 60 66 9A 35 C7 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002C7359A6000, 16 bytes long.
 Data: <8f&#154;5&#199;           > 38 66 9A 35 C7 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002C7359A0830, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000002C7359A63C0, 16 bytes long.
 Data: < f&#154;5&#199;           > 10 66 9A 35 C7 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002C7359A6610, 992 bytes long.
 Data: <&#192;c&#154;5&#199;   0 &#154;5&#199;   > C0 63 9A 35 C7 02 00 00 30 08 9A 35 C7 02 00 00 
{94} normal block at 0x000002C7359A0470, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000002C73599F7D0, 16 bytes long.
 Data: <@J&#154;5&#199;           > 40 4A 9A 35 C7 02 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000002C7359A4A40, 40 bytes long.
 Data: <&#208;&#247; 5&#199;   p &#154;5&#199;   > D0 F7 99 35 C7 02 00 00 70 04 9A 35 C7 02 00 00 
{71} normal block at 0x000002C73599F500, 16 bytes long.
 Data: < &#234;9T&#246;           > 80 EA 39 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002C73599F0A0, 16 bytes long.
 Data: <@&#233;9T&#246;           > 40 E9 39 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002C73599F5A0, 16 bytes long.
 Data: <&#248;W6T&#246;           > F8 57 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002C73599EBA0, 16 bytes long.
 Data: <&#216;W6T&#246;           > D8 57 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002C73599EB50, 16 bytes long.
 Data: <P 6T&#246;           > 50 04 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002C73599FA50, 16 bytes long.
 Data: <0 6T&#246;           > 30 04 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002C73599ED30, 16 bytes long.
 Data: <&#224; 6T&#246;           > E0 02 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002C73599F870, 16 bytes long.
 Data: <  6T&#246;           > 10 04 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002C73599FA00, 16 bytes long.
 Data: <p 6T&#246;           > 70 04 36 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002C73599F730, 16 bytes long.
 Data: < &#192;4T&#246;           > 18 C0 34 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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