Task 38683092

Name test_201-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND3663_0
Workunit 31624672
Created 27 Oct 2026, 10:24:04 UTC
Sent 27 Oct 2026, 10:24:06 UTC
Report deadline 1 Nov 2026, 10:24:06 UTC
Received 27 Oct 2026, 12:24:33 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 590389
Run time 46 min 55 sec
CPU time 35 min 36 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,993.64 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 706.29 MB
Peak swap size 5.38 GB
Peak disk usage 3.61 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
07:38:33 (6732): wrapper (7.9.26016): starting
07:38:35 (6732): 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
07:38:49 (6732): Library/usr/bin/tar.exe exited; CPU time 0.000000
07:38:54 (6732): 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\Boinc2\slots\5\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\Boinc2\slots\5\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
08:23:49 (6732): C:/Windows/system32/cmd.exe exited; CPU time 2136.250000
08:23:54 (6732): 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: 33141891 bytes.
Dumping objects ->
{3835333} normal block at 0x000001C54C42E090, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835322} normal block at 0x000001C54C42D220, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835311} normal block at 0x000001C54C42D6F0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835300} normal block at 0x000001C54C42D4C0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835289} normal block at 0x000001C54C42D370, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835258} normal block at 0x000001C54C45ACC0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835247} normal block at 0x000001C54C4BC770, 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) : {3835243} normal block at 0x000001C54A8380A0, 8 bytes long.
 Data: <   J&#197;   > 00 00 7F 4A C5 01 00 00 
{3834581} normal block at 0x000001C54C4BCCF0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833949} normal block at 0x000001C54A8381E0, 8 bytes long.
 Data: <&#192;*SL&#197;   > C0 2A 53 4C C5 01 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000001C54A841010, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001C54A82BA90, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{290} normal block at 0x000001C54A8420F0, 16 bytes long.
 Data: < G&#132;J&#197;           > 98 47 84 4A C5 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001C54A842DC0, 16 bytes long.
 Data: <pG&#132;J&#197;           > 70 47 84 4A C5 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001C54A83DD70, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{287} normal block at 0x000001C54A842D20, 16 bytes long.
 Data: <HG&#132;J&#197;           > 48 47 84 4A C5 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001C54A842C80, 16 bytes long.
 Data: < G&#132;J&#197;           > 20 47 84 4A C5 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001C54A842AA0, 16 bytes long.
 Data: <&#248;F&#132;J&#197;           > F8 46 84 4A C5 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001C54A842CD0, 16 bytes long.
 Data: <&#208;F&#132;J&#197;           > D0 46 84 4A C5 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001C54A83C2F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{282} normal block at 0x000001C54A842910, 16 bytes long.
 Data: <X&#203;&#130;J&#197;           > 58 CB 82 4A C5 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001C54A83DA70, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{280} normal block at 0x000001C54A8428C0, 16 bytes long.
 Data: <0&#203;&#130;J&#197;           > 30 CB 82 4A C5 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001C54A842820, 16 bytes long.
 Data: < &#203;&#130;J&#197;           > 08 CB 82 4A C5 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001C54A842D70, 16 bytes long.
 Data: <&#224;&#202;&#130;J&#197;           > E0 CA 82 4A C5 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001C54A842410, 16 bytes long.
 Data: <&#184;&#202;&#130;J&#197;           > B8 CA 82 4A C5 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001C54A8427D0, 16 bytes long.
 Data: < &#202;&#130;J&#197;           > 90 CA 82 4A C5 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001C54A8420A0, 16 bytes long.
 Data: <h&#202;&#130;J&#197;           > 68 CA 82 4A C5 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001C54A83DC50, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{272} normal block at 0x000001C54A842BE0, 16 bytes long.
 Data: <@&#202;&#130;J&#197;           > 40 CA 82 4A C5 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001C54A82CA40, 320 bytes long.
 Data: <&#224;+&#132;J&#197;   P&#220;&#131;J&#197;   > E0 2B 84 4A C5 01 00 00 50 DC 83 4A C5 01 00 00 
{270} normal block at 0x000001C54A8423C0, 16 bytes long.
 Data: <&#176;F&#132;J&#197;           > B0 46 84 4A C5 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001C54A842780, 16 bytes long.
 Data: < F&#132;J&#197;           > 88 46 84 4A C5 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001C54A83E130, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{267} normal block at 0x000001C54A842730, 16 bytes long.
 Data: <`F&#132;J&#197;           > 60 46 84 4A C5 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001C54A83DD10, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{265} normal block at 0x000001C54A842550, 16 bytes long.
 Data: <&#168;E&#132;J&#197;           > A8 45 84 4A C5 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001C54A842640, 16 bytes long.
 Data: < E&#132;J&#197;           > 80 45 84 4A C5 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001C54A842B90, 16 bytes long.
 Data: <XE&#132;J&#197;           > 58 45 84 4A C5 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001C54A8429B0, 16 bytes long.
 Data: <0E&#132;J&#197;           > 30 45 84 4A C5 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001C54A842FF0, 16 bytes long.
 Data: < E&#132;J&#197;           > 08 45 84 4A C5 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001C54A842B40, 16 bytes long.
 Data: <&#224;D&#132;J&#197;           > E0 44 84 4A C5 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001C54A842AF0, 16 bytes long.
 Data: < &#198;&#131;J&#197;           > 00 C6 83 4A C5 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001C54A83C600, 40 bytes long.
 Data: <&#240;*&#132;J&#197;   &#192;&#172;EL&#197;   > F0 2A 84 4A C5 01 00 00 C0 AC 45 4C C5 01 00 00 
{256} normal block at 0x000001C54A842F50, 16 bytes long.
 Data: <&#192;D&#132;J&#197;           > C0 44 84 4A C5 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001C54A8426E0, 16 bytes long.
 Data: < D&#132;J&#197;           > 98 44 84 4A C5 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001C54A83DB30, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{253} normal block at 0x000001C54A842FA0, 16 bytes long.
 Data: <pD&#132;J&#197;           > 70 44 84 4A C5 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001C54A844470, 992 bytes long.
 Data: <&#160;/&#132;J&#197;   0&#219;&#131;J&#197;   > A0 2F 84 4A C5 01 00 00 30 DB 83 4A C5 01 00 00 
{88} normal block at 0x000001C54A83DA10, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{87} normal block at 0x000001C54A837420, 16 bytes long.
 Data: < &#194;&#131;J&#197;           > 80 C2 83 4A C5 01 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000001C54A83C280, 40 bytes long.
 Data: < t&#131;J&#197;    &#218;&#131;J&#197;   > 20 74 83 4A C5 01 00 00 10 DA 83 4A C5 01 00 00 
{65} normal block at 0x000001C54A8376F0, 16 bytes long.
 Data: < &#234;&#246; &#246;           > 80 EA F6 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001C54A837880, 16 bytes long.
 Data: <@&#233;&#246; &#246;           > 40 E9 F6 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001C54A8380F0, 16 bytes long.
 Data: <&#248;W&#243; &#246;           > F8 57 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001C54A837650, 16 bytes long.
 Data: <&#216;W&#243; &#246;           > D8 57 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001C54A837F10, 16 bytes long.
 Data: <P &#243; &#246;           > 50 04 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001C54A837B00, 16 bytes long.
 Data: <0 &#243; &#246;           > 30 04 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001C54A8374C0, 16 bytes long.
 Data: <&#224; &#243; &#246;           > E0 02 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001C54A837790, 16 bytes long.
 Data: <  &#243; &#246;           > 10 04 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001C54A838230, 16 bytes long.
 Data: <p &#243; &#246;           > 70 04 F3 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001C54A837470, 16 bytes long.
 Data: < &#192;&#241; &#246;           > 18 C0 F1 05 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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