Task 38686624

Name test_916-GPUGRID_TEST_ATM_40STEP_20261023-29-40-RND2336_0
Workunit 31628050
Created 28 Oct 2026, 3:34:15 UTC
Sent 28 Oct 2026, 3:34:28 UTC
Report deadline 2 Nov 2026, 3:34:28 UTC
Received 28 Oct 2026, 6:21:42 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 650754
Run time 56 min 41 sec
CPU time 56 min 41 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,332.26 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 699.41 MB
Peak swap size 9.85 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
05:23:48 (10124): wrapper (7.9.26016): starting
05:23:48 (10124): 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
05:23:49 (10124): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:23:49 (10124): 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:\BOINCdata\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:\BOINCdata\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
06:19:36 (10124): C:/Windows/system32/cmd.exe exited; CPU time 3401.703125
06:19:36 (10124): 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: 37568679 bytes.
Dumping objects ->
{3835233} normal block at 0x000001FF42096390, 48 bytes long.
 Data: <PATH=C:\BOINCdat> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 64 61 74 
{3835222} normal block at 0x000001FF43E63E50, 32 bytes long.
 Data: <HOME=C:\BOINCdat> 48 4F 4D 45 3D 43 3A 5C 42 4F 49 4E 43 64 61 74 
{3835211} normal block at 0x000001FF43E63C10, 32 bytes long.
 Data: <TMP=C:\BOINCdata> 54 4D 50 3D 43 3A 5C 42 4F 49 4E 43 64 61 74 61 
{3835200} normal block at 0x000001FF43E63C70, 32 bytes long.
 Data: <TEMP=C:\BOINCdat> 54 45 4D 50 3D 43 3A 5C 42 4F 49 4E 43 64 61 74 
{3835189} normal block at 0x000001FF43E63CD0, 32 bytes long.
 Data: <TMPDIR=C:\BOINCd> 54 4D 50 44 49 52 3D 43 3A 5C 42 4F 49 4E 43 64 
{3835158} normal block at 0x000001FF42095C20, 48 bytes long.
 Data: <PATH=C:\BOINCdat> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 64 61 74 
{3835147} normal block at 0x000001FF420682E0, 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) : {3835144} normal block at 0x000001FF42066A00, 8 bytes long.
 Data: <  &#171;C&#255;   > 00 00 AB 43 FF 01 00 00 
{3834547} normal block at 0x000001FF42068830, 200 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x000001FF42066820, 8 bytes long.
 Data: <&#208; &#213;C&#255;   > D0 10 D5 43 FF 01 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x000001FF42070D30, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001FF4205B170, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x000001FF420725E0, 16 bytes long.
 Data: <&#168;4 B&#255;           > A8 34 07 42 FF 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001FF420721D0, 16 bytes long.
 Data: < 4 B&#255;           > 80 34 07 42 FF 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001FF4206D580, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x000001FF42072450, 16 bytes long.
 Data: <X4 B&#255;           > 58 34 07 42 FF 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001FF42072770, 16 bytes long.
 Data: <04 B&#255;           > 30 34 07 42 FF 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001FF42072040, 16 bytes long.
 Data: < 4 B&#255;           > 08 34 07 42 FF 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001FF42072540, 16 bytes long.
 Data: <&#224;3 B&#255;           > E0 33 07 42 FF 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001FF4206B570, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x000001FF42072B80, 16 bytes long.
 Data: <&#248;&#193; B&#255;           > F8 C1 06 42 FF 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001FF4206D700, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x000001FF420723B0, 16 bytes long.
 Data: <&#208;&#193; B&#255;           > D0 C1 06 42 FF 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001FF420727C0, 16 bytes long.
 Data: <&#168;&#193; B&#255;           > A8 C1 06 42 FF 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001FF42072A40, 16 bytes long.
 Data: < &#193; B&#255;           > 80 C1 06 42 FF 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001FF42072950, 16 bytes long.
 Data: <X&#193; B&#255;           > 58 C1 06 42 FF 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001FF42071F00, 16 bytes long.
 Data: <0&#193; B&#255;           > 30 C1 06 42 FF 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001FF42072900, 16 bytes long.
 Data: < &#193; B&#255;           > 08 C1 06 42 FF 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001FF4206DE80, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x000001FF42072090, 16 bytes long.
 Data: <&#224;&#192; B&#255;           > E0 C0 06 42 FF 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001FF4206C0E0, 320 bytes long.
 Data: <   B&#255;    &#222; B&#255;   > 90 20 07 42 FF 01 00 00 80 DE 06 42 FF 01 00 00 
{269} normal block at 0x000001FF42072810, 16 bytes long.
 Data: <&#192;3 B&#255;           > C0 33 07 42 FF 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001FF420726D0, 16 bytes long.
 Data: < 3 B&#255;           > 98 33 07 42 FF 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001FF4206E060, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x000001FF42072310, 16 bytes long.
 Data: <p3 B&#255;           > 70 33 07 42 FF 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001FF4206D760, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x000001FF42071FF0, 16 bytes long.
 Data: <&#184;2 B&#255;           > B8 32 07 42 FF 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001FF42072220, 16 bytes long.
 Data: < 2 B&#255;           > 90 32 07 42 FF 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001FF42072400, 16 bytes long.
 Data: <h2 B&#255;           > 68 32 07 42 FF 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001FF42072B30, 16 bytes long.
 Data: <@2 B&#255;           > 40 32 07 42 FF 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001FF42071DC0, 16 bytes long.
 Data: < 2 B&#255;           > 18 32 07 42 FF 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001FF42072590, 16 bytes long.
 Data: <&#240;1 B&#255;           > F0 31 07 42 FF 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001FF42071EB0, 16 bytes long.
 Data: < &#181; B&#255;           > 00 B5 06 42 FF 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001FF4206B500, 40 bytes long.
 Data: <&#176;  B&#255;    \	B&#255;   > B0 1E 07 42 FF 01 00 00 20 5C 09 42 FF 01 00 00 
{255} normal block at 0x000001FF42072D10, 16 bytes long.
 Data: <&#208;1 B&#255;           > D0 31 07 42 FF 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001FF42072AE0, 16 bytes long.
 Data: <&#168;1 B&#255;           > A8 31 07 42 FF 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001FF4206DB20, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x000001FF42072A90, 16 bytes long.
 Data: < 1 B&#255;           > 80 31 07 42 FF 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000001FF42073180, 992 bytes long.
 Data: < * B&#255;    &#219; B&#255;   > 90 2A 07 42 FF 01 00 00 20 DB 06 42 FF 01 00 00 
{87} normal block at 0x000001FF4206DDC0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x000001FF42066870, 16 bytes long.
 Data: <&#176;&#179; B&#255;           > B0 B3 06 42 FF 01 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x000001FF4206B3B0, 40 bytes long.
 Data: <ph B&#255;   &#192;&#221; B&#255;   > 70 68 06 42 FF 01 00 00 C0 DD 06 42 FF 01 00 00 
{64} normal block at 0x000001FF42066960, 16 bytes long.
 Data: < &#234;#&#135;&#247;           > 80 EA 23 87 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001FF42066280, 16 bytes long.
 Data: <@&#233;#&#135;&#247;           > 40 E9 23 87 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001FF42067090, 16 bytes long.
 Data: <&#248;W &#135;&#247;           > F8 57 20 87 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001FF42066780, 16 bytes long.
 Data: <&#216;W &#135;&#247;           > D8 57 20 87 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001FF42067040, 16 bytes long.
 Data: <P  &#135;&#247;           > 50 04 20 87 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001FF42066410, 16 bytes long.
 Data: <0  &#135;&#247;           > 30 04 20 87 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001FF420669B0, 16 bytes long.
 Data: <&#224;  &#135;&#247;           > E0 02 20 87 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001FF420666E0, 16 bytes long.
 Data: <   &#135;&#247;           > 10 04 20 87 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001FF42066690, 16 bytes long.
 Data: <p  &#135;&#247;           > 70 04 20 87 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001FF42066D20, 16 bytes long.
 Data: < &#192; &#135;&#247;           > 18 C0 1E 87 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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