Task 38680772

Name test_827-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND2394_1
Workunit 31622472
Created 27 Oct 2026, 1:25:30 UTC
Sent 27 Oct 2026, 1:25:32 UTC
Report deadline 1 Nov 2026, 1:25:32 UTC
Received 27 Oct 2026, 6:33:40 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 639498
Run time 2 hours 1 min 43 sec
CPU time 1 hours 41 min 55 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,085.14 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 641.99 MB
Peak swap size 2.20 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:33:16 (4112): wrapper (7.9.26016): starting
22:33:16 (4112): 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
22:33:19 (4112): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:33:19 (4112): 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\4\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\4\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
00:32:40 (4112): C:/Windows/system32/cmd.exe exited; CPU time 6115.781250
00:32:40 (4112): called boinc_finish(0)
0 bytes in 0 Free Blocks.
726 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: 78711421 bytes.
Dumping objects ->
{3835279} normal block at 0x00000204105F1090, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835268} normal block at 0x00000204105F0A70, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835257} normal block at 0x00000204105F14F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835246} normal block at 0x00000204105F1480, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835235} normal block at 0x00000204105F1560, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835204} normal block at 0x00000204106E49A0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835193} normal block at 0x000002040EBF3C90, 235 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) : {3835190} normal block at 0x000002040EBE77C0, 8 bytes long.
 Data: <  N     > 00 00 4E 10 04 02 00 00 
{3834573} normal block at 0x000002040EBF4150, 235 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833945} normal block at 0x000002040EBE7E00, 8 bytes long.
 Data: < &#213;f     > 90 D5 66 10 04 02 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000002040EBF1180, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002040EBDBFA0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x000002040EBF2440, 16 bytes long.
 Data: <&#168;G&#191;             > A8 47 BF 0E 04 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002040EBF2300, 16 bytes long.
 Data: < G&#191;             > 80 47 BF 0E 04 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002040EBEE570, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x000002040EBF3070, 16 bytes long.
 Data: <XG&#191;             > 58 47 BF 0E 04 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002040EBF2E90, 16 bytes long.
 Data: <0G&#191;             > 30 47 BF 0E 04 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002040EBF26C0, 16 bytes long.
 Data: < G&#191;             > 08 47 BF 0E 04 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002040EBF2C10, 16 bytes long.
 Data: <&#224;F&#191;             > E0 46 BF 0E 04 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002040EBED980, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x000002040EBF2E40, 16 bytes long.
 Data: < !&#191;             > 98 21 BF 0E 04 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002040EBEE4B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x000002040EBF25D0, 16 bytes long.
 Data: <p!&#191;             > 70 21 BF 0E 04 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002040EBF2670, 16 bytes long.
 Data: <H!&#191;             > 48 21 BF 0E 04 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002040EBF3020, 16 bytes long.
 Data: < !&#191;             > 20 21 BF 0E 04 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002040EBF2D00, 16 bytes long.
 Data: <&#248; &#191;             > F8 20 BF 0E 04 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002040EBF2A80, 16 bytes long.
 Data: <&#208; &#191;             > D0 20 BF 0E 04 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002040EBF2710, 16 bytes long.
 Data: <&#168; &#191;             > A8 20 BF 0E 04 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002040EBEE690, 32 bytes long.
 Data: <CUDA_DEVICE=2 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 32 00 50 55 
{270} normal block at 0x000002040EBF3250, 16 bytes long.
 Data: <  &#191;             > 80 20 BF 0E 04 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002040EBF2080, 320 bytes long.
 Data: <P2&#191;      &#230;&#190;     > 50 32 BF 0E 04 02 00 00 90 E6 BE 0E 04 02 00 00 
{268} normal block at 0x000002040EBF2A30, 16 bytes long.
 Data: <&#192;F&#191;             > C0 46 BF 0E 04 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002040EBF29E0, 16 bytes long.
 Data: < F&#191;             > 98 46 BF 0E 04 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002040EBEDDF0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x000002040EBF2940, 16 bytes long.
 Data: <pF&#191;             > 70 46 BF 0E 04 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002040EBEEB70, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x000002040EBF2350, 16 bytes long.
 Data: <&#184;E&#191;             > B8 45 BF 0E 04 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002040EBF2620, 16 bytes long.
 Data: < E&#191;             > 90 45 BF 0E 04 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002040EBF2FD0, 16 bytes long.
 Data: <hE&#191;             > 68 45 BF 0E 04 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002040EBF23A0, 16 bytes long.
 Data: <@E&#191;             > 40 45 BF 0E 04 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002040EBF2F80, 16 bytes long.
 Data: < E&#191;             > 18 45 BF 0E 04 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002040EBF28A0, 16 bytes long.
 Data: <&#240;D&#191;             > F0 44 BF 0E 04 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002040EBF31B0, 16 bytes long.
 Data: <&#240;&#217;&#190;             > F0 D9 BE 0E 04 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002040EBED9F0, 40 bytes long.
 Data: <&#176;1&#191;     &#160;In     > B0 31 BF 0E 04 02 00 00 A0 49 6E 10 04 02 00 00 
{254} normal block at 0x000002040EBF2B70, 16 bytes long.
 Data: <&#208;D&#191;             > D0 44 BF 0E 04 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000002040EBF2C60, 16 bytes long.
 Data: <&#168;D&#191;             > A8 44 BF 0E 04 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000002040EBEE270, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x000002040EBF2F30, 16 bytes long.
 Data: < D&#191;             > 80 44 BF 0E 04 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000002040EBF4480, 992 bytes long.
 Data: <0/&#191;     p&#226;&#190;     > 30 2F BF 0E 04 02 00 00 70 E2 BE 0E 04 02 00 00 
{86} normal block at 0x000002040EBEE150, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x000002040EBE7860, 16 bytes long.
 Data: < &#214;&#190;             > 00 D6 BE 0E 04 02 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000002040EBED600, 40 bytes long.
 Data: <`x&#190;     P&#225;&#190;     > 60 78 BE 0E 04 02 00 00 50 E1 BE 0E 04 02 00 00 
{63} normal block at 0x000002040EBE7C20, 16 bytes long.
 Data: < &#234;&#237;f&#247;           > 80 EA ED 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002040EBE7630, 16 bytes long.
 Data: <@&#233;&#237;f&#247;           > 40 E9 ED 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002040EBE75E0, 16 bytes long.
 Data: <&#248;W&#234;f&#247;           > F8 57 EA 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002040EBE79A0, 16 bytes long.
 Data: <&#216;W&#234;f&#247;           > D8 57 EA 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002040EBE7B80, 16 bytes long.
 Data: <P &#234;f&#247;           > 50 04 EA 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002040EBE7B30, 16 bytes long.
 Data: <0 &#234;f&#247;           > 30 04 EA 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002040EBE7DB0, 16 bytes long.
 Data: <&#224; &#234;f&#247;           > E0 02 EA 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002040EBE7E50, 16 bytes long.
 Data: <  &#234;f&#247;           > 10 04 EA 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000002040EBE7AE0, 16 bytes long.
 Data: <p &#234;f&#247;           > 70 04 EA 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000002040EBE7D60, 16 bytes long.
 Data: < &#192;&#232;f&#247;           > 18 C0 E8 66 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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