Task 38689204

Name test_441-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND3934_1
Workunit 31630311
Created 28 Oct 2026, 19:09:54 UTC
Sent 28 Oct 2026, 19:09:57 UTC
Report deadline 2 Nov 2026, 19:09:57 UTC
Received 28 Oct 2026, 19:42:53 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652783
Run time 21 min
CPU time 19 min 3 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,338.03 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 722.39 MB
Peak swap size 9.97 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
15:19:21 (29524): wrapper (7.9.26016): starting
15:19:21 (29524): 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
15:19:22 (29524): Library/usr/bin/tar.exe exited; CPU time 0.000000
15:19:22 (29524): 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\6\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\6\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
15:39:30 (29524): C:/Windows/system32/cmd.exe exited; CPU time 1143.953125
15:39:30 (29524): 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: 21413089 bytes.
Dumping objects ->
{3835237} normal block at 0x000002909C7ACF80, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x000002909C7ACDC0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835215} normal block at 0x000002909C7ACE30, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835204} normal block at 0x000002909AA94BA0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835193} normal block at 0x000002909AA94900, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835162} normal block at 0x000002909C7F7E00, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835151} normal block at 0x000002909C80E3A0, 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) : {3835148} normal block at 0x000002909AA90990, 8 bytes long.
 Data: <  &#232;&#154;    > 00 00 E8 9A 90 02 00 00 
{3834547} normal block at 0x000002909C80E710, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x000002909AA90DA0, 8 bytes long.
 Data: < B&#133;&#156;    > 80 42 85 9C 90 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x000002909AA86510, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000002909AA87140, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x000002909AA96060, 16 bytes long.
 Data: <&#184;U&#169;&#154;            > B8 55 A9 9A 90 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002909AA96470, 16 bytes long.
 Data: < U&#169;&#154;            > 90 55 A9 9A 90 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002909AA8F7A0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x000002909AA95750, 16 bytes long.
 Data: <hU&#169;&#154;            > 68 55 A9 9A 90 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002909AA95840, 16 bytes long.
 Data: <@U&#169;&#154;            > 40 55 A9 9A 90 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002909AA95F70, 16 bytes long.
 Data: < U&#169;&#154;            > 18 55 A9 9A 90 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002909AA95980, 16 bytes long.
 Data: <&#240;T&#169;&#154;            > F0 54 A9 9A 90 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002909AA94740, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x000002909AA96420, 16 bytes long.
 Data: <&#168;&#184;&#167;&#154;            > A8 B8 A7 9A 90 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002909AA90400, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x000002909AA957F0, 16 bytes long.
 Data: < &#184;&#167;&#154;            > 80 B8 A7 9A 90 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002909AA95FC0, 16 bytes long.
 Data: <X&#184;&#167;&#154;            > 58 B8 A7 9A 90 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002909AA95C50, 16 bytes long.
 Data: <0&#184;&#167;&#154;            > 30 B8 A7 9A 90 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002909AA95C00, 16 bytes long.
 Data: < &#184;&#167;&#154;            > 08 B8 A7 9A 90 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002909AA964C0, 16 bytes long.
 Data: <&#224;&#183;&#167;&#154;            > E0 B7 A7 9A 90 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002909AA95E80, 16 bytes long.
 Data: <&#184;&#183;&#167;&#154;            > B8 B7 A7 9A 90 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002909AA8F860, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x000002909AA95BB0, 16 bytes long.
 Data: < &#183;&#167;&#154;            > 90 B7 A7 9A 90 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002909AA7B790, 320 bytes long.
 Data: <&#176;[&#169;&#154;    `&#248;&#168;&#154;    > B0 5B A9 9A 90 02 00 00 60 F8 A8 9A 90 02 00 00 
{275} normal block at 0x000002909AA95930, 16 bytes long.
 Data: <&#208;T&#169;&#154;            > D0 54 A9 9A 90 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002909AA961A0, 16 bytes long.
 Data: <&#168;T&#169;&#154;            > A8 54 A9 9A 90 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002909AA8FBC0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x000002909AA96560, 16 bytes long.
 Data: < T&#169;&#154;            > 80 54 A9 9A 90 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002909AA8F8C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x000002909AA962E0, 16 bytes long.
 Data: <&#200;S&#169;&#154;            > C8 53 A9 9A 90 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002909AA96380, 16 bytes long.
 Data: <&#160;S&#169;&#154;            > A0 53 A9 9A 90 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002909AA958E0, 16 bytes long.
 Data: <xS&#169;&#154;            > 78 53 A9 9A 90 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002909AA95700, 16 bytes long.
 Data: <PS&#169;&#154;            > 50 53 A9 9A 90 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002909AA910C0, 16 bytes long.
 Data: <(S&#169;&#154;            > 28 53 A9 9A 90 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002909AA90EE0, 16 bytes long.
 Data: < S&#169;&#154;            > 00 53 A9 9A 90 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002909AA90E90, 16 bytes long.
 Data: <&#176;G&#169;&#154;            > B0 47 A9 9A 90 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002909AA947B0, 40 bytes long.
 Data: <  &#169;&#154;     ~ &#156;    > 90 0E A9 9A 90 02 00 00 00 7E 7F 9C 90 02 00 00 
{261} normal block at 0x000002909AA90A30, 16 bytes long.
 Data: <&#224;R&#169;&#154;            > E0 52 A9 9A 90 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002909AA90D00, 16 bytes long.
 Data: <&#184;R&#169;&#154;            > B8 52 A9 9A 90 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002909AA8FB60, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x000002909AA908A0, 16 bytes long.
 Data: < R&#169;&#154;            > 90 52 A9 9A 90 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002909AA95290, 992 bytes long.
 Data: <&#160; &#169;&#154;    `&#251;&#168;&#154;    > A0 08 A9 9A 90 02 00 00 60 FB A8 9A 90 02 00 00 
{93} normal block at 0x000002909AA8FF80, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x000002909AA90940, 16 bytes long.
 Data: <&#208;F&#169;&#154;            > D0 46 A9 9A 90 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x000002909AA946D0, 40 bytes long.
 Data: <@	&#169;&#154;     &#255;&#168;&#154;    > 40 09 A9 9A 90 02 00 00 80 FF A8 9A 90 02 00 00 
{70} normal block at 0x000002909AA91110, 16 bytes long.
 Data: < &#234;<M&#247;           > 80 EA 3C 4D F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002909AA90D50, 16 bytes long.
 Data: <@&#233;<M&#247;           > 40 E9 3C 4D F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002909AA916B0, 16 bytes long.
 Data: <&#248;W9M&#247;           > F8 57 39 4D F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002909AA90B20, 16 bytes long.
 Data: <&#216;W9M&#247;           > D8 57 39 4D F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002909AA912F0, 16 bytes long.
 Data: <P 9M&#247;           > 50 04 39 4D F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002909AA91700, 16 bytes long.
 Data: <0 9M&#247;           > 30 04 39 4D F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002909AA90CB0, 16 bytes long.
 Data: <&#224; 9M&#247;           > E0 02 39 4D F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002909AA908F0, 16 bytes long.
 Data: <  9M&#247;           > 10 04 39 4D F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002909AA911B0, 16 bytes long.
 Data: <p 9M&#247;           > 70 04 39 4D F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002909AA91660, 16 bytes long.
 Data: < &#192;7M&#247;           > 18 C0 37 4D F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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