Task 38681315

Name test_819-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND9153_0
Workunit 31622984
Created 27 Oct 2026, 3:29:20 UTC
Sent 27 Oct 2026, 3:29:26 UTC
Report deadline 1 Nov 2026, 3:29:26 UTC
Received 27 Oct 2026, 4:07:50 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 464555
Run time 37 min 28 sec
CPU time 36 min 40 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,117.86 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 687.75 MB
Peak swap size 6.86 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
04:30:35 (6660): wrapper (7.9.26016): starting
04:30:35 (6660): 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
04:30:36 (6660): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:30:36 (6660): 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:\BOINC\ProgramData\slots\2\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:\BOINC\ProgramData\slots\2\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
05:07:05 (6660): C:/Windows/system32/cmd.exe exited; CPU time 2200.828125
05:07:05 (6660): 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: 26404217 bytes.
Dumping objects ->
{3835238} normal block at 0x00000212B9261410, 48 bytes long.
 Data: <PATH=C:\BOINC\Pr> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835227} normal block at 0x00000212B9261090, 48 bytes long.
 Data: <HOME=C:\BOINC\Pr> 48 4F 4D 45 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835216} normal block at 0x00000212B92607D0, 48 bytes long.
 Data: <TMP=C:\BOINC\Pro> 54 4D 50 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 6F 
{3835205} normal block at 0x00000212B9261330, 48 bytes long.
 Data: <TEMP=C:\BOINC\Pr> 54 45 4D 50 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835194} normal block at 0x00000212B92612C0, 48 bytes long.
 Data: <TMPDIR=C:\BOINC\> 54 4D 50 44 49 52 3D 43 3A 5C 42 4F 49 4E 43 5C 
{3835163} normal block at 0x00000212B930C490, 64 bytes long.
 Data: <PATH=C:\BOINC\Pr> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 5C 50 72 
{3835152} normal block at 0x00000212B785BFD0, 160 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) : {3835149} normal block at 0x00000212B78075E0, 8 bytes long.
 Data: <   &#185;    > 00 00 11 B9 12 02 00 00 
{3834546} normal block at 0x00000212B785C6D0, 160 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 0x00000212B7807770, 8 bytes long.
 Data: <&#224;[)&#185;    > E0 5B 29 B9 12 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x00000212B7812040, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000212B77F61F0, 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 0x00000212B78137B0, 16 bytes long.
 Data: <&#184;C &#183;            > B8 43 81 B7 12 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000212B7813620, 16 bytes long.
 Data: < C &#183;            > 90 43 81 B7 12 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000212B780C630, 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 0x00000212B7813490, 16 bytes long.
 Data: <hC &#183;            > 68 43 81 B7 12 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000212B78136C0, 16 bytes long.
 Data: <@C &#183;            > 40 43 81 B7 12 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000212B78130D0, 16 bytes long.
 Data: < C &#183;            > 18 43 81 B7 12 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000212B7814020, 16 bytes long.
 Data: <&#240;B &#183;            > F0 42 81 B7 12 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000212B780DA30, 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 0x00000212B7813EE0, 16 bytes long.
 Data: < a &#183;            > 88 61 7F B7 12 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000212B780BC10, 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 0x00000212B7813440, 16 bytes long.
 Data: <`a &#183;            > 60 61 7F B7 12 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000212B7813D50, 16 bytes long.
 Data: <8a &#183;            > 38 61 7F B7 12 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000212B78138F0, 16 bytes long.
 Data: < a &#183;            > 10 61 7F B7 12 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000212B78138A0, 16 bytes long.
 Data: <&#232;` &#183;            > E8 60 7F B7 12 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000212B7813B70, 16 bytes long.
 Data: <&#192;` &#183;            > C0 60 7F B7 12 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000212B78133F0, 16 bytes long.
 Data: < ` &#183;            > 98 60 7F B7 12 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000212B780BAF0, 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 0x00000212B7813AD0, 16 bytes long.
 Data: <p` &#183;            > 70 60 7F B7 12 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000212B77F6070, 320 bytes long.
 Data: <&#208;: &#183;    &#240;&#186; &#183;    > D0 3A 81 B7 12 02 00 00 F0 BA 80 B7 12 02 00 00 
{270} normal block at 0x00000212B7813D00, 16 bytes long.
 Data: <&#208;B &#183;            > D0 42 81 B7 12 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000212B7813DA0, 16 bytes long.
 Data: <&#168;B &#183;            > A8 42 81 B7 12 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000212B780BCD0, 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 0x00000212B7813260, 16 bytes long.
 Data: < B &#183;            > 80 42 81 B7 12 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000212B780C390, 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 0x00000212B7813DF0, 16 bytes long.
 Data: <&#200;A &#183;            > C8 41 81 B7 12 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000212B7813BC0, 16 bytes long.
 Data: <&#160;A &#183;            > A0 41 81 B7 12 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000212B7813350, 16 bytes long.
 Data: <xA &#183;            > 78 41 81 B7 12 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000212B7813800, 16 bytes long.
 Data: <PA &#183;            > 50 41 81 B7 12 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000212B7813C60, 16 bytes long.
 Data: <(A &#183;            > 28 41 81 B7 12 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000212B7813A80, 16 bytes long.
 Data: < A &#183;            > 00 41 81 B7 12 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000212B7813850, 16 bytes long.
 Data: <&#240;&#219; &#183;            > F0 DB 80 B7 12 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000212B780DBF0, 40 bytes long.
 Data: <P8 &#183;     &#196;0&#185;    > 50 38 81 B7 12 02 00 00 90 C4 30 B9 12 02 00 00 
{256} normal block at 0x00000212B7813B20, 16 bytes long.
 Data: <&#224;@ &#183;            > E0 40 81 B7 12 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000212B7813990, 16 bytes long.
 Data: <&#184;@ &#183;            > B8 40 81 B7 12 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x00000212B780BBB0, 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 0x00000212B7813FD0, 16 bytes long.
 Data: < @ &#183;            > 90 40 81 B7 12 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x00000212B7814090, 992 bytes long.
 Data: <&#208;? &#183;    &#176;&#187; &#183;    > D0 3F 81 B7 12 02 00 00 B0 BB 80 B7 12 02 00 00 
{88} normal block at 0x00000212B780C090, 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 0x00000212B7807270, 16 bytes long.
 Data: <&#176;&#221; &#183;            > B0 DD 80 B7 12 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x00000212B780DDB0, 40 bytes long.
 Data: <pr &#183;     &#192; &#183;    > 70 72 80 B7 12 02 00 00 90 C0 80 B7 12 02 00 00 
{65} normal block at 0x00000212B7807AE0, 16 bytes long.
 Data: < &#234;&#227;i&#247;           > 80 EA E3 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000212B78079A0, 16 bytes long.
 Data: <@&#233;&#227;i&#247;           > 40 E9 E3 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000212B7807360, 16 bytes long.
 Data: <&#248;W&#224;i&#247;           > F8 57 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000212B7806D20, 16 bytes long.
 Data: <&#216;W&#224;i&#247;           > D8 57 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000212B7806F50, 16 bytes long.
 Data: <P &#224;i&#247;           > 50 04 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000212B7807590, 16 bytes long.
 Data: <0 &#224;i&#247;           > 30 04 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000212B7807540, 16 bytes long.
 Data: <&#224; &#224;i&#247;           > E0 02 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000212B7806FA0, 16 bytes long.
 Data: <  &#224;i&#247;           > 10 04 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000212B7807680, 16 bytes long.
 Data: <p &#224;i&#247;           > 70 04 E0 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x00000212B7806E10, 16 bytes long.
 Data: < &#192;&#222;i&#247;           > 18 C0 DE 69 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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