Task 38697862

Name test_908-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND7372_0
Workunit 31638409
Created 1 Nov 2026, 22:55:20 UTC
Sent 1 Nov 2026, 22:55:24 UTC
Report deadline 6 Nov 2026, 22:55:24 UTC
Received 2 Nov 2026, 0:49:10 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654688
Run time 56 min 14 sec
CPU time 50 min 46 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 6,587.42 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 667.82 MB
Peak swap size 3.84 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>7.16.11</core_client_version>
<![CDATA[
<stderr_txt>
00:53:35 (16912): wrapper (7.9.26016): starting
00:53:35 (16912): 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
00:53:37 (16912): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:53:37 (16912): 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\9\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\9\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
01:48:00 (16912): C:/Windows/system32/cmd.exe exited; CPU time 3046.015625
01:48:00 (16912): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 37205023 bytes.
Dumping objects ->
{3835245} normal block at 0x000002B0EB7B1D70, 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 0x000002B0EB7B1E50, 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 0x000002B0EB7B0FE0, 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 0x000002B0EB7B1520, 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 0x000002B0EB7B19F0, 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 0x000002B0EB8EC350, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835157} normal block at 0x000002B0E9E014F0, 8 bytes long.
 Data: <  &#221;&#233;&#176;   > 00 00 DD E9 B0 02 00 00 
{3833945} normal block at 0x000002B0E9E01310, 8 bytes long.
 Data: <  &#148;&#235;&#176;   > 20 81 94 EB B0 02 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000002B0E9E01A30, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002B0E9E02970, 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 0x000002B0E9DF6C00, 16 bytes long.
 Data: <H-&#224;&#233;&#176;           > 48 2D E0 E9 B0 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002B0E9DF6B10, 16 bytes long.
 Data: < -&#224;&#233;&#176;           > 20 2D E0 E9 B0 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002B0E9DFCA40, 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 0x000002B0E9DF79C0, 16 bytes long.
 Data: <&#248;,&#224;&#233;&#176;           > F8 2C E0 E9 B0 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002B0E9DF7970, 16 bytes long.
 Data: <&#208;,&#224;&#233;&#176;           > D0 2C E0 E9 B0 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002B0E9DF7920, 16 bytes long.
 Data: <&#168;,&#224;&#233;&#176;           > A8 2C E0 E9 B0 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002B0E9DF7650, 16 bytes long.
 Data: < ,&#224;&#233;&#176;           > 80 2C E0 E9 B0 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002B0E9DFB680, 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 0x000002B0E9DF74C0, 16 bytes long.
 Data: < )&#224;&#233;&#176;           > 08 29 E0 E9 B0 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002B0E9DFD400, 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 0x000002B0E9DF70B0, 16 bytes long.
 Data: <&#224;(&#224;&#233;&#176;           > E0 28 E0 E9 B0 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002B0E9DF6F20, 16 bytes long.
 Data: <&#184;(&#224;&#233;&#176;           > B8 28 E0 E9 B0 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002B0E9DF73D0, 16 bytes long.
 Data: < (&#224;&#233;&#176;           > 90 28 E0 E9 B0 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002B0E9DF7830, 16 bytes long.
 Data: <h(&#224;&#233;&#176;           > 68 28 E0 E9 B0 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002B0E9E01270, 16 bytes long.
 Data: <@(&#224;&#233;&#176;           > 40 28 E0 E9 B0 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002B0E9E01220, 16 bytes long.
 Data: < (&#224;&#233;&#176;           > 18 28 E0 E9 B0 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002B0E9DFD460, 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 0x000002B0E9E01130, 16 bytes long.
 Data: <&#240;'&#224;&#233;&#176;           > F0 27 E0 E9 B0 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002B0E9E027F0, 320 bytes long.
 Data: <0 &#224;&#233;&#176;   `&#212;&#223;&#233;&#176;   > 30 11 E0 E9 B0 02 00 00 60 D4 DF E9 B0 02 00 00 
{268} normal block at 0x000002B0E9E011D0, 16 bytes long.
 Data: <`,&#224;&#233;&#176;           > 60 2C E0 E9 B0 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002B0E9E01090, 16 bytes long.
 Data: <8,&#224;&#233;&#176;           > 38 2C E0 E9 B0 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002B0E9DFCC80, 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 0x000002B0E9E01590, 16 bytes long.
 Data: < ,&#224;&#233;&#176;           > 10 2C E0 E9 B0 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002B0E9DFD5E0, 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 0x000002B0E9E014A0, 16 bytes long.
 Data: <X+&#224;&#233;&#176;           > 58 2B E0 E9 B0 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002B0E9E01450, 16 bytes long.
 Data: <0+&#224;&#233;&#176;           > 30 2B E0 E9 B0 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002B0E9E01040, 16 bytes long.
 Data: < +&#224;&#233;&#176;           > 08 2B E0 E9 B0 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002B0E9E01400, 16 bytes long.
 Data: <&#224;*&#224;&#233;&#176;           > E0 2A E0 E9 B0 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002B0E9E01680, 16 bytes long.
 Data: <&#184;*&#224;&#233;&#176;           > B8 2A E0 E9 B0 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002B0E9E016D0, 16 bytes long.
 Data: < *&#224;&#233;&#176;           > 90 2A E0 E9 B0 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002B0E9E013B0, 16 bytes long.
 Data: < &#189;&#223;&#233;&#176;           > 10 BD DF E9 B0 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002B0E9DFBD10, 40 bytes long.
 Data: <&#176; &#224;&#233;&#176;   P&#195;&#142;&#235;&#176;   > B0 13 E0 E9 B0 02 00 00 50 C3 8E EB B0 02 00 00 
{254} normal block at 0x000002B0E9E01360, 16 bytes long.
 Data: <p*&#224;&#233;&#176;           > 70 2A E0 E9 B0 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000002B0E9E01540, 16 bytes long.
 Data: <H*&#224;&#233;&#176;           > 48 2A E0 E9 B0 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000002B0E9DFCE60, 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 0x000002B0E9E012C0, 16 bytes long.
 Data: < *&#224;&#233;&#176;           > 20 2A E0 E9 B0 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000002B0E9E02A20, 992 bytes long.
 Data: <&#192; &#224;&#233;&#176;   `&#206;&#223;&#233;&#176;   > C0 12 E0 E9 B0 02 00 00 60 CE DF E9 B0 02 00 00 
{86} normal block at 0x000002B0E9DFCB60, 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 0x000002B0E9DF6ED0, 16 bytes long.
 Data: <&#240;&#182;&#223;&#233;&#176;           > F0 B6 DF E9 B0 02 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000002B0E9DFB6F0, 40 bytes long.
 Data: <&#208;n&#223;&#233;&#176;   `&#203;&#223;&#233;&#176;   > D0 6E DF E9 B0 02 00 00 60 CB DF E9 B0 02 00 00 
{63} normal block at 0x000002B0E9DF78D0, 16 bytes long.
 Data: < &#234;&#228;c&#246;           > 80 EA E4 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002B0E9DF6D40, 16 bytes long.
 Data: <@&#233;&#228;c&#246;           > 40 E9 E4 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002B0E9DF7470, 16 bytes long.
 Data: <&#248;W&#225;c&#246;           > F8 57 E1 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002B0E9DF6B60, 16 bytes long.
 Data: <&#216;W&#225;c&#246;           > D8 57 E1 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002B0E9DF6E30, 16 bytes long.
 Data: <P &#225;c&#246;           > 50 04 E1 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002B0E9DF77E0, 16 bytes long.
 Data: <0 &#225;c&#246;           > 30 04 E1 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002B0E9DF7420, 16 bytes long.
 Data: <&#224; &#225;c&#246;           > E0 02 E1 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002B0E9DF7790, 16 bytes long.
 Data: <  &#225;c&#246;           > 10 04 E1 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000002B0E9DF6F70, 16 bytes long.
 Data: <p &#225;c&#246;           > 70 04 E1 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000002B0E9DF6AC0, 16 bytes long.
 Data: < &#192;&#223;c&#246;           > 18 C0 DF 63 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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