Task 38680021

Name test_639-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND5935_0
Workunit 31621767
Created 26 Oct 2026, 22:32:18 UTC
Sent 26 Oct 2026, 22:32:27 UTC
Report deadline 31 Oct 2026, 22:32:27 UTC
Received 26 Oct 2026, 23:51:46 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 623100
Run time 27 min 2 sec
CPU time 25 min 11 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,239.72 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 778.41 MB
Peak swap size 9.98 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:25:08 (20824): wrapper (7.9.26016): starting
01:25:08 (20824): 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
01:25:10 (20824): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:25:10 (20824): 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\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 'C:\ProgramData\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
01:51:24 (20824): C:/Windows/system32/cmd.exe exited; CPU time 1511.046875
01:51:24 (20824): 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: 24379269 bytes.
Dumping objects ->
{3835317} normal block at 0x0000017406BF4F60, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835306} normal block at 0x0000017406BF5580, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835295} normal block at 0x0000017406BF5510, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835284} normal block at 0x0000017406BF52E0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835273} normal block at 0x0000017406BF4EF0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835242} normal block at 0x0000017408858180, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835231} normal block at 0x000001740886EAA0, 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) : {3835228} normal block at 0x0000017406BEF730, 8 bytes long.
 Data: <  &#188; t   > 00 00 BC 06 74 01 00 00 
{3834592} normal block at 0x000001740886EF70, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833969} normal block at 0x0000017406BEF6E0, 8 bytes long.
 Data: <0&#212;&#204; t   > 30 D4 CC 06 74 01 00 00 
..\zip\boinc_zip.cpp(122) : {316} normal block at 0x0000017406BF1460, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{301} normal block at 0x0000017406BE5C00, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{300} normal block at 0x0000017406BF6180, 16 bytes long.
 Data: <xi&#191; t           > 78 69 BF 06 74 01 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000017406BF6270, 16 bytes long.
 Data: <Pi&#191; t           > 50 69 BF 06 74 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000017406BED750, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{297} normal block at 0x0000017406BF5EB0, 16 bytes long.
 Data: <(i&#191; t           > 28 69 BF 06 74 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000017406BF64A0, 16 bytes long.
 Data: < i&#191; t           > 00 69 BF 06 74 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000017406BF5E60, 16 bytes long.
 Data: <&#216;h&#191; t           > D8 68 BF 06 74 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000017406BF5910, 16 bytes long.
 Data: <&#176;h&#191; t           > B0 68 BF 06 74 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000017406BF5190, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{292} normal block at 0x0000017406BF60E0, 16 bytes long.
 Data: <8&#143;&#190; t           > 38 8F BE 06 74 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000017406BED570, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{290} normal block at 0x0000017406BF58C0, 16 bytes long.
 Data: < &#143;&#190; t           > 10 8F BE 06 74 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000017406BF6090, 16 bytes long.
 Data: <&#232; &#190; t           > E8 8E BE 06 74 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000017406BF5780, 16 bytes long.
 Data: <&#192; &#190; t           > C0 8E BE 06 74 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000017406BF5870, 16 bytes long.
 Data: <  &#190; t           > 98 8E BE 06 74 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000017406BF5FF0, 16 bytes long.
 Data: <p &#190; t           > 70 8E BE 06 74 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000017406BF5E10, 16 bytes long.
 Data: <H &#190; t           > 48 8E BE 06 74 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000017406BEE110, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{282} normal block at 0x0000017406BF6220, 16 bytes long.
 Data: <  &#190; t           > 20 8E BE 06 74 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000017406BE8E20, 320 bytes long.
 Data: < b&#191; t    &#225;&#190; t   > 20 62 BF 06 74 01 00 00 10 E1 BE 06 74 01 00 00 
{280} normal block at 0x0000017406BF6130, 16 bytes long.
 Data: < h&#191; t           > 90 68 BF 06 74 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000017406BF5DC0, 16 bytes long.
 Data: <hh&#191; t           > 68 68 BF 06 74 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000017406BEDE10, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{277} normal block at 0x0000017406BF5820, 16 bytes long.
 Data: <@h&#191; t           > 40 68 BF 06 74 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000017406BEDED0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{275} normal block at 0x0000017406BF63B0, 16 bytes long.
 Data: < g&#191; t           > 88 67 BF 06 74 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000017406BF56E0, 16 bytes long.
 Data: <`g&#191; t           > 60 67 BF 06 74 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000017406BF57D0, 16 bytes long.
 Data: <8g&#191; t           > 38 67 BF 06 74 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000017406BF59B0, 16 bytes long.
 Data: < g&#191; t           > 10 67 BF 06 74 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000017406BF62C0, 16 bytes long.
 Data: <&#232;f&#191; t           > E8 66 BF 06 74 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000017406BF6360, 16 bytes long.
 Data: <&#192;f&#191; t           > C0 66 BF 06 74 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000017406BF5FA0, 16 bytes long.
 Data: <&#192;S&#191; t           > C0 53 BF 06 74 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000017406BF53C0, 40 bytes long.
 Data: <&#160;_&#191; t     &#133; t   > A0 5F BF 06 74 01 00 00 80 81 85 08 74 01 00 00 
{266} normal block at 0x0000017406BF5D70, 16 bytes long.
 Data: <&#160;f&#191; t           > A0 66 BF 06 74 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000017406BF5730, 16 bytes long.
 Data: <xf&#191; t           > 78 66 BF 06 74 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000017406BEDC30, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{263} normal block at 0x0000017406BF65E0, 16 bytes long.
 Data: <Pf&#191; t           > 50 66 BF 06 74 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000017406BF6650, 992 bytes long.
 Data: <&#224;e&#191; t   0&#220;&#190; t   > E0 65 BF 06 74 01 00 00 30 DC BE 06 74 01 00 00 
{98} normal block at 0x0000017406BED5D0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{97} normal block at 0x0000017406BEF910, 16 bytes long.
 Data: <&#192;&#225;&#189; t           > C0 E1 BD 06 74 01 00 00 00 00 00 00 00 00 00 00 
{96} normal block at 0x0000017406BDE1C0, 40 bytes long.
 Data: < &#249;&#190; t   &#208;&#213;&#190; t   > 10 F9 BE 06 74 01 00 00 D0 D5 BE 06 74 01 00 00 
{75} normal block at 0x0000017406BEF690, 16 bytes long.
 Data: < &#234;i &#246;           > 80 EA 69 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{74} normal block at 0x0000017406BEF8C0, 16 bytes long.
 Data: <@&#233;i &#246;           > 40 E9 69 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000017406BEF2D0, 16 bytes long.
 Data: <&#248;Wf &#246;           > F8 57 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000017406BEF320, 16 bytes long.
 Data: <&#216;Wf &#246;           > D8 57 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000017406BEF5F0, 16 bytes long.
 Data: <P f &#246;           > 50 04 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000017406BEF550, 16 bytes long.
 Data: <0 f &#246;           > 30 04 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000017406BEFE10, 16 bytes long.
 Data: <&#224; f &#246;           > E0 02 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000017406BEF5A0, 16 bytes long.
 Data: <  f &#246;           > 10 04 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000017406BEFB90, 16 bytes long.
 Data: <p f &#246;           > 70 04 66 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000017406BEF190, 16 bytes long.
 Data: < &#192;d &#246;           > 18 C0 64 98 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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