Task 38677754

Name test_886-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND8701_0
Workunit 31619611
Created 26 Oct 2026, 15:17:38 UTC
Sent 26 Oct 2026, 15:17:42 UTC
Report deadline 31 Oct 2026, 15:17:42 UTC
Received 26 Oct 2026, 16:34:09 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 617005
Run time 59 min 35 sec
CPU time 51 min 36 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,204.26 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 669.15 MB
Peak swap size 2.25 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:34:11 (15088): wrapper (7.9.26016): starting
18:34:11 (15088): 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
18:34:14 (15088): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:34:14 (15088): 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:\BOINC\slots\1\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:\BOINC\slots\1\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
19:31:45 (15088): C:/Windows/system32/cmd.exe exited; CPU time 3096.140625
19:31:45 (15088): 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: 43377019 bytes.
Dumping objects ->
{3835529} normal block at 0x00000206006E12F0, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835518} normal block at 0x0000020602225B30, 32 bytes long.
 Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835507} normal block at 0x00000206022258F0, 32 bytes long.
 Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835496} normal block at 0x0000020602225830, 32 bytes long.
 Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835485} normal block at 0x0000020602225890, 32 bytes long.
 Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C 
{3835454} normal block at 0x00000206006E1280, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835443} normal block at 0x00000206006D8890, 200 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) : {3835440} normal block at 0x00000206006D76E0, 8 bytes long.
 Data: <  c     > 00 00 63 00 06 02 00 00 
{3834685} normal block at 0x00000206006DA320, 200 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 0x00000206006D71E0, 8 bytes long.
 Data: <PP'     > 50 50 27 02 06 02 00 00 
..\zip\boinc_zip.cpp(122) : {303} normal block at 0x00000206006E1E90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000206006C5F20, 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 0x00000206006E2DE0, 16 bytes long.
 Data: < ?n             > 88 3F 6E 00 06 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000206006E2D90, 16 bytes long.
 Data: <`?n             > 60 3F 6E 00 06 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000206006DB790, 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 0x00000206006E3650, 16 bytes long.
 Data: <8?n             > 38 3F 6E 00 06 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000206006E3330, 16 bytes long.
 Data: < ?n             > 10 3F 6E 00 06 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000206006E3100, 16 bytes long.
 Data: <&#232;>n             > E8 3E 6E 00 06 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000206006E3A60, 16 bytes long.
 Data: <&#192;>n             > C0 3E 6E 00 06 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000206006E1360, 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 0x00000206006E35B0, 16 bytes long.
 Data: <&#184;^l             > B8 5E 6C 00 06 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000206006DB970, 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 0x00000206006E2FC0, 16 bytes long.
 Data: <&#144;^l             > 90 5E 6C 00 06 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000206006E36A0, 16 bytes long.
 Data: <h^l             > 68 5E 6C 00 06 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000206006E2ED0, 16 bytes long.
 Data: <@^l             > 40 5E 6C 00 06 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000206006E3510, 16 bytes long.
 Data: < ^l             > 18 5E 6C 00 06 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000206006E3830, 16 bytes long.
 Data: <&#240;]l             > F0 5D 6C 00 06 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000206006E3010, 16 bytes long.
 Data: <&#200;]l             > C8 5D 6C 00 06 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000206006DBB50, 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 0x00000206006E3060, 16 bytes long.
 Data: <&#160;]l             > A0 5D 6C 00 06 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000206006C5DA0, 320 bytes long.
 Data: <`0n     P&#187;m     > 60 30 6E 00 06 02 00 00 50 BB 6D 00 06 02 00 00 
{267} normal block at 0x00000206006E32E0, 16 bytes long.
 Data: <&#160;>n             > A0 3E 6E 00 06 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000206006E3240, 16 bytes long.
 Data: <x>n             > 78 3E 6E 00 06 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000206006DBDF0, 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 0x00000206006E34C0, 16 bytes long.
 Data: <P>n             > 50 3E 6E 00 06 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000206006DC5D0, 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 0x00000206006E2CA0, 16 bytes long.
 Data: < =n             > 98 3D 6E 00 06 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000206006E2E80, 16 bytes long.
 Data: <p=n             > 70 3D 6E 00 06 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000206006E3470, 16 bytes long.
 Data: <H=n             > 48 3D 6E 00 06 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000206006E3380, 16 bytes long.
 Data: < =n             > 20 3D 6E 00 06 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000206006E3BF0, 16 bytes long.
 Data: <&#248;<n             > F8 3C 6E 00 06 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000206006E3B00, 16 bytes long.
 Data: <&#208;<n             > D0 3C 6E 00 06 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000206006E3AB0, 16 bytes long.
 Data: <@ n             > 40 14 6E 00 06 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000206006E1440, 40 bytes long.
 Data: <&#176;:n     &#128; n     > B0 3A 6E 00 06 02 00 00 80 12 6E 00 06 02 00 00 
{253} normal block at 0x00000206006E3A10, 16 bytes long.
 Data: <&#176;<n             > B0 3C 6E 00 06 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x00000206006E3BA0, 16 bytes long.
 Data: < <n             > 88 3C 6E 00 06 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x00000206006DBEB0, 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 0x00000206006E2F70, 16 bytes long.
 Data: <`<n             > 60 3C 6E 00 06 02 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x00000206006E3C60, 992 bytes long.
 Data: <p/n     &#176;&#190;m     > 70 2F 6E 00 06 02 00 00 B0 BE 6D 00 06 02 00 00 
{85} normal block at 0x00000206006DBC70, 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 0x00000206006D6F60, 16 bytes long.
 Data: <P n             > 50 10 6E 00 06 02 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x00000206006E1050, 40 bytes long.
 Data: <`om     p&#188;m     > 60 6F 6D 00 06 02 00 00 70 BC 6D 00 06 02 00 00 
{62} normal block at 0x00000206006D74B0, 16 bytes long.
 Data: <&#128;&#234;8&#145;&#246;           > 80 EA 38 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000206006D6C40, 16 bytes long.
 Data: <@&#233;8&#145;&#246;           > 40 E9 38 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000206006D73C0, 16 bytes long.
 Data: <&#248;W5&#145;&#246;           > F8 57 35 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000206006D7320, 16 bytes long.
 Data: <&#216;W5&#145;&#246;           > D8 57 35 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000206006D7640, 16 bytes long.
 Data: <P 5&#145;&#246;           > 50 04 35 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000206006D69C0, 16 bytes long.
 Data: <0 5&#145;&#246;           > 30 04 35 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000206006D6970, 16 bytes long.
 Data: <&#224; 5&#145;&#246;           > E0 02 35 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x00000206006D7230, 16 bytes long.
 Data: <  5&#145;&#246;           > 10 04 35 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x00000206006D6EC0, 16 bytes long.
 Data: <p 5&#145;&#246;           > 70 04 35 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x00000206006D6D30, 16 bytes long.
 Data: < &#192;3&#145;&#246;           > 18 C0 33 91 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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