Task 38681526

Name test_244-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND7641_0
Workunit 31623189
Created 27 Oct 2026, 4:21:25 UTC
Sent 27 Oct 2026, 4:21:27 UTC
Report deadline 1 Nov 2026, 4:21:27 UTC
Received 27 Oct 2026, 7:15:32 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 514949
Run time 36 min 16 sec
CPU time 34 min 46 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,343.40 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 671.05 MB
Peak swap size 5.29 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
01:39:40 (11208): wrapper (7.9.26016): starting
01:39:40 (11208): 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
01:39:41 (11208): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:39:41 (11208): 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 'D:\ProgramData\BOINC\slots\4\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 'D:\ProgramData\BOINC\slots\4\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
02:15:06 (11208): C:/Windows/system32/cmd.exe exited; CPU time 2086.718750
02:15:06 (11208): called boinc_finish(0)
0 bytes in 0 Free Blocks.
526 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: 34306837 bytes.
Dumping objects ->
{3835319} normal block at 0x000002BDAD0C6260, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835308} normal block at 0x000002BDAD0C5E70, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835297} normal block at 0x000002BDAD0C61F0, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835286} normal block at 0x000002BDAB3DD9A0, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835275} normal block at 0x000002BDAB3DD930, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835244} normal block at 0x000002BDACFDCB80, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x000002BDAD0C98C0, 135 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) : {3835230} normal block at 0x000002BDAB3D7870, 8 bytes long.
 Data: <  ;&#171;&#189;   > 00 00 3B AB BD 02 00 00 
{3834589} normal block at 0x000002BDAD0C9B30, 135 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 0x000002BDAB3D71E0, 8 bytes long.
 Data: <@P &#173;&#189;   > 40 50 0C AD BD 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x000002BDAB3E09C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000002BDAB3CB3A0, 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 0x000002BDAB3E1DC0, 16 bytes long.
 Data: < @>&#171;&#189;           > 08 40 3E AB BD 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002BDAB3E25E0, 16 bytes long.
 Data: <&#224;?>&#171;&#189;           > E0 3F 3E AB BD 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002BDAB3DC030, 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 0x000002BDAB3E1BE0, 16 bytes long.
 Data: <&#184;?>&#171;&#189;           > B8 3F 3E AB BD 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002BDAB3E1D70, 16 bytes long.
 Data: < ?>&#171;&#189;           > 90 3F 3E AB BD 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002BDAB3E1FF0, 16 bytes long.
 Data: <h?>&#171;&#189;           > 68 3F 3E AB BD 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002BDAB3E2590, 16 bytes long.
 Data: <@?>&#171;&#189;           > 40 3F 3E AB BD 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002BDAB3DDD20, 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 0x000002BDAB3E1D20, 16 bytes long.
 Data: <(&#210;=&#171;&#189;           > 28 D2 3D AB BD 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002BDAB3DBD30, 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 0x000002BDAB3E23B0, 16 bytes long.
 Data: < &#210;=&#171;&#189;           > 00 D2 3D AB BD 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002BDAB3E2770, 16 bytes long.
 Data: <&#216;&#209;=&#171;&#189;           > D8 D1 3D AB BD 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002BDAB3E22C0, 16 bytes long.
 Data: <&#176;&#209;=&#171;&#189;           > B0 D1 3D AB BD 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002BDAB3E1FA0, 16 bytes long.
 Data: < &#209;=&#171;&#189;           > 88 D1 3D AB BD 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002BDAB3E1B90, 16 bytes long.
 Data: <`&#209;=&#171;&#189;           > 60 D1 3D AB BD 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002BDAB3E24A0, 16 bytes long.
 Data: <8&#209;=&#171;&#189;           > 38 D1 3D AB BD 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002BDAB3DC630, 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 0x000002BDAB3E1B40, 16 bytes long.
 Data: < &#209;=&#171;&#189;           > 10 D1 3D AB BD 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002BDAB3DD110, 320 bytes long.
 Data: <@ >&#171;&#189;   0&#198;=&#171;&#189;   > 40 1B 3E AB BD 02 00 00 30 C6 3D AB BD 02 00 00 
{270} normal block at 0x000002BDAB3E19B0, 16 bytes long.
 Data: < ?>&#171;&#189;           > 20 3F 3E AB BD 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002BDAB3E26D0, 16 bytes long.
 Data: <&#248;>>&#171;&#189;           > F8 3E 3E AB BD 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002BDAB3DC570, 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 0x000002BDAB3E1CD0, 16 bytes long.
 Data: <&#208;>>&#171;&#189;           > D0 3E 3E AB BD 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002BDAB3DC510, 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 0x000002BDAB3E2450, 16 bytes long.
 Data: < >>&#171;&#189;           > 18 3E 3E AB BD 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002BDAB3E21D0, 16 bytes long.
 Data: <&#240;=>&#171;&#189;           > F0 3D 3E AB BD 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002BDAB3E1AF0, 16 bytes long.
 Data: <&#200;=>&#171;&#189;           > C8 3D 3E AB BD 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002BDAB3E2360, 16 bytes long.
 Data: <&#160;=>&#171;&#189;           > A0 3D 3E AB BD 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002BDAB3E1EB0, 16 bytes long.
 Data: <x=>&#171;&#189;           > 78 3D 3E AB BD 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002BDAB3E1C30, 16 bytes long.
 Data: <P=>&#171;&#189;           > 50 3D 3E AB BD 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002BDAB3E1960, 16 bytes long.
 Data: <@&#220;=&#171;&#189;           > 40 DC 3D AB BD 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002BDAB3DDC40, 40 bytes long.
 Data: <` >&#171;&#189;    &#203;&#253;&#172;&#189;   > 60 19 3E AB BD 02 00 00 80 CB FD AC BD 02 00 00 
{256} normal block at 0x000002BDAB3E1C80, 16 bytes long.
 Data: <0=>&#171;&#189;           > 30 3D 3E AB BD 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002BDAB3E2630, 16 bytes long.
 Data: < =>&#171;&#189;           > 08 3D 3E AB BD 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002BDAB3DC2D0, 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 0x000002BDAB3E1A50, 16 bytes long.
 Data: <&#224;<>&#171;&#189;           > E0 3C 3E AB BD 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000002BDAB3E3CE0, 992 bytes long.
 Data: <P >&#171;&#189;   &#208;&#194;=&#171;&#189;   > 50 1A 3E AB BD 02 00 00 D0 C2 3D AB BD 02 00 00 
{88} normal block at 0x000002BDAB3DC5D0, 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 0x000002BDAB3D74B0, 16 bytes long.
 Data: <&#208;&#219;=&#171;&#189;           > D0 DB 3D AB BD 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000002BDAB3DDBD0, 40 bytes long.
 Data: <&#176;t=&#171;&#189;   &#208;&#197;=&#171;&#189;   > B0 74 3D AB BD 02 00 00 D0 C5 3D AB BD 02 00 00 
{65} normal block at 0x000002BDAB3D7730, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 1C 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002BDAB3D7140, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 1C 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002BDAB3D77D0, 16 bytes long.
 Data: <&#248;W  &#247;           > F8 57 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002BDAB3D7410, 16 bytes long.
 Data: <&#216;W  &#247;           > D8 57 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002BDAB3D7190, 16 bytes long.
 Data: <P   &#247;           > 50 04 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002BDAB3D76E0, 16 bytes long.
 Data: <0   &#247;           > 30 04 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002BDAB3D7640, 16 bytes long.
 Data: <&#224;   &#247;           > E0 02 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002BDAB3D73C0, 16 bytes long.
 Data: <    &#247;           > 10 04 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002BDAB3D6E20, 16 bytes long.
 Data: <p   &#247;           > 70 04 19 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002BDAB3D70F0, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 17 8F F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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