Task 38681776

Name test_81-GPUGRID_TEST_ATM_40STEP_20261023-20-40-RND7543_0
Workunit 31623427
Created 27 Oct 2026, 5:18:31 UTC
Sent 27 Oct 2026, 5:18:34 UTC
Report deadline 1 Nov 2026, 5:18:34 UTC
Received 27 Oct 2026, 8:28:43 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 609617
Run time 56 min 47 sec
CPU time 56 min 47 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,564.25 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 703.15 MB
Peak swap size 9.76 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:24:06 (8132): wrapper (7.9.26016): starting
09:24:06 (8132): 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
09:24:09 (8132): Library/usr/bin/tar.exe exited; CPU time 0.125000
09:24:09 (8132): 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\20\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\20\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
10:29:42 (8132): C:/Windows/system32/cmd.exe exited; CPU time 3406.875000
10:29:42 (8132): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 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: 29750705 bytes.
Dumping objects ->
{3835245} normal block at 0x0000011BF3C01410, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835234} normal block at 0x0000011BF3C01560, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835223} normal block at 0x0000011BF3C00B50, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835212} normal block at 0x0000011BF3C00BC0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835201} normal block at 0x0000011BF3C00A00, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835170} normal block at 0x0000011BF3CF3C60, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835159} normal block at 0x0000011BF3D52D00, 180 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) : {3835155} normal block at 0x0000011BF21466C0, 8 bytes long.
 Data: <   &#242;    > 00 00 12 F2 1B 01 00 00 
{3834548} normal block at 0x0000011BF3D52C10, 180 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 0x0000011BF2146530, 8 bytes long.
 Data: <&#160;&#186; &#242;    > A0 BA 17 F2 1B 01 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000011BF2151960, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000011BF2135A10, 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 0x0000011BF2152C70, 16 bytes long.
 Data: <&#168;O &#242;            > A8 4F 15 F2 1B 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000011BF2152B30, 16 bytes long.
 Data: <&#128;O &#242;            > 80 4F 15 F2 1B 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000011BF214C700, 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 0x0000011BF2153490, 16 bytes long.
 Data: <XO &#242;            > 58 4F 15 F2 1B 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000011BF2153210, 16 bytes long.
 Data: <0O &#242;            > 30 4F 15 F2 1B 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000011BF21529F0, 16 bytes long.
 Data: < O &#242;            > 08 4F 15 F2 1B 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000011BF2152950, 16 bytes long.
 Data: <&#224;N &#242;            > E0 4E 15 F2 1B 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000011BF214B150, 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 0x0000011BF2153030, 16 bytes long.
 Data: <&#232;&#192; &#242;            > E8 C0 14 F2 1B 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000011BF214CE80, 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 0x0000011BF2153620, 16 bytes long.
 Data: <&#192;&#192; &#242;            > C0 C0 14 F2 1B 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000011BF2152FE0, 16 bytes long.
 Data: < &#192; &#242;            > 98 C0 14 F2 1B 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000011BF21528B0, 16 bytes long.
 Data: <p&#192; &#242;            > 70 C0 14 F2 1B 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000011BF21531C0, 16 bytes long.
 Data: <H&#192; &#242;            > 48 C0 14 F2 1B 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000011BF21533F0, 16 bytes long.
 Data: < &#192; &#242;            > 20 C0 14 F2 1B 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000011BF2153300, 16 bytes long.
 Data: <&#248;&#191; &#242;            > F8 BF 14 F2 1B 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000011BF214CE20, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x0000011BF2152A90, 16 bytes long.
 Data: <&#208;&#191; &#242;            > D0 BF 14 F2 1B 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000011BF214BFD0, 320 bytes long.
 Data: <&#144;* &#242;     &#206; &#242;    > 90 2A 15 F2 1B 01 00 00 20 CE 14 F2 1B 01 00 00 
{268} normal block at 0x0000011BF21533A0, 16 bytes long.
 Data: <&#192;N &#242;            > C0 4E 15 F2 1B 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000011BF2153170, 16 bytes long.
 Data: < N &#242;            > 98 4E 15 F2 1B 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000011BF214CD60, 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 0x0000011BF2152A40, 16 bytes long.
 Data: <pN &#242;            > 70 4E 15 F2 1B 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000011BF214CEE0, 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 0x0000011BF2153800, 16 bytes long.
 Data: <&#184;M &#242;            > B8 4D 15 F2 1B 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000011BF2152F90, 16 bytes long.
 Data: <&#144;M &#242;            > 90 4D 15 F2 1B 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000011BF2152D10, 16 bytes long.
 Data: <hM &#242;            > 68 4D 15 F2 1B 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000011BF2152B80, 16 bytes long.
 Data: <@M &#242;            > 40 4D 15 F2 1B 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000011BF2152F40, 16 bytes long.
 Data: < M &#242;            > 18 4D 15 F2 1B 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000011BF2153440, 16 bytes long.
 Data: <&#240;L &#242;            > F0 4C 15 F2 1B 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000011BF2152E00, 16 bytes long.
 Data: <&#224;&#176; &#242;            > E0 B0 14 F2 1B 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000011BF214B0E0, 40 bytes long.
 Data: < . &#242;    `<&#207;&#243;    > 00 2E 15 F2 1B 01 00 00 60 3C CF F3 1B 01 00 00 
{254} normal block at 0x0000011BF2153670, 16 bytes long.
 Data: <&#208;L &#242;            > D0 4C 15 F2 1B 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000011BF21535D0, 16 bytes long.
 Data: <&#168;L &#242;            > A8 4C 15 F2 1B 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000011BF214CC40, 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 0x0000011BF2153580, 16 bytes long.
 Data: <&#128;L &#242;            > 80 4C 15 F2 1B 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x0000011BF2154C80, 992 bytes long.
 Data: <&#128;5 &#242;    @&#204; &#242;    > 80 35 15 F2 1B 01 00 00 40 CC 14 F2 1B 01 00 00 
{86} normal block at 0x0000011BF214CCA0, 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 0x0000011BF21464E0, 16 bytes long.
 Data: < &#175; &#242;            > 20 AF 14 F2 1B 01 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x0000011BF214AF20, 40 bytes long.
 Data: <&#224;d &#242;    &#160;&#204; &#242;    > E0 64 14 F2 1B 01 00 00 A0 CC 14 F2 1B 01 00 00 
{63} normal block at 0x0000011BF2146260, 16 bytes long.
 Data: <&#128;&#234; v&#246;           > 80 EA 05 76 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000011BF2146170, 16 bytes long.
 Data: <@&#233; v&#246;           > 40 E9 05 76 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000011BF2146120, 16 bytes long.
 Data: <&#248;W v&#246;           > F8 57 02 76 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000011BF2146E90, 16 bytes long.
 Data: <&#216;W v&#246;           > D8 57 02 76 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000011BF2146F30, 16 bytes long.
 Data: <P  v&#246;           > 50 04 02 76 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000011BF2146A30, 16 bytes long.
 Data: <0  v&#246;           > 30 04 02 76 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000011BF2146D50, 16 bytes long.
 Data: <&#224;  v&#246;           > E0 02 02 76 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000011BF2146D00, 16 bytes long.
 Data: <   v&#246;           > 10 04 02 76 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000011BF2146A80, 16 bytes long.
 Data: <p  v&#246;           > 70 04 02 76 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000011BF2146350, 16 bytes long.
 Data: < &#192; v&#246;           > 18 C0 00 76 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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