Task 38670454

Name test_0-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND6774_0
Workunit 31612705
Created 25 Oct 2026, 17:34:58 UTC
Sent 25 Oct 2026, 17:35:05 UTC
Report deadline 30 Oct 2026, 17:35:05 UTC
Received 26 Oct 2026, 5:12:56 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 609629
Run time 59 min 37 sec
CPU time 52 min 19 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,533.21 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 729.15 MB
Peak swap size 18.78 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:01:57 (17616): wrapper (7.9.26016): starting
20:01:57 (17616): 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
20:02:00 (17616): Library/usr/bin/tar.exe exited; CPU time 0.000000
20:02:00 (17616): 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\39\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\39\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
20:59:44 (17616): C:/Windows/system32/cmd.exe exited; CPU time 3139.437500
20:59:44 (17616): called boinc_finish(0)
0 bytes in 0 Free Blocks.
616 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: 57443003 bytes.
Dumping objects ->
{3835246} normal block at 0x000002883B4D8130, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835235} normal block at 0x000002883B4D8590, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835224} normal block at 0x000002883B4D8280, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835213} normal block at 0x000002883B4D7A30, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835202} normal block at 0x000002883B4D7FE0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835171} normal block at 0x000002883D296740, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835160} normal block at 0x000002883D2F4C00, 180 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) : {3835157} normal block at 0x000002883B4A90A0, 8 bytes long.
 Data: <  ;=    > 00 00 3B 3D 88 02 00 00 
{3834550} normal block at 0x000002883D2F5650, 180 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x000002883B4A8FB0, 8 bytes long.
 Data: <  2=    > 10 1A 32 3D 88 02 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x000002883B4B2000, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002883B49AF20, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x000002883B4B3A40, 16 bytes long.
 Data: < WK;            > 88 57 4B 3B 88 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002883B4B3540, 16 bytes long.
 Data: <`WK;            > 60 57 4B 3B 88 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002883B4AF800, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x000002883B4B3400, 16 bytes long.
 Data: <8WK;            > 38 57 4B 3B 88 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002883B4B39F0, 16 bytes long.
 Data: < WK;            > 10 57 4B 3B 88 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002883B4B3130, 16 bytes long.
 Data: <&#232;VK;            > E8 56 4B 3B 88 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002883B4B3C70, 16 bytes long.
 Data: <&#192;VK;            > C0 56 4B 3B 88 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002883B4AD830, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x000002883B4B38B0, 16 bytes long.
 Data: <&#184;&#216;I;            > B8 D8 49 3B 88 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002883B4AF3E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x000002883B4B37C0, 16 bytes long.
 Data: <&#144;&#216;I;            > 90 D8 49 3B 88 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002883B4B3630, 16 bytes long.
 Data: <h&#216;I;            > 68 D8 49 3B 88 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002883B4B3860, 16 bytes long.
 Data: <@&#216;I;            > 40 D8 49 3B 88 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002883B4B3810, 16 bytes long.
 Data: < &#216;I;            > 18 D8 49 3B 88 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002883B4B3B30, 16 bytes long.
 Data: <&#240;&#215;I;            > F0 D7 49 3B 88 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002883B4B3F90, 16 bytes long.
 Data: <&#200;&#215;I;            > C8 D7 49 3B 88 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002883B4AF380, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x000002883B4B33B0, 16 bytes long.
 Data: <&#160;&#215;I;            > A0 D7 49 3B 88 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002883B49D7A0, 320 bytes long.
 Data: <&#176;3K;    &#128;&#243;J;    > B0 33 4B 3B 88 02 00 00 80 F3 4A 3B 88 02 00 00 
{269} normal block at 0x000002883B4B3770, 16 bytes long.
 Data: <&#160;VK;            > A0 56 4B 3B 88 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002883B4B30E0, 16 bytes long.
 Data: <xVK;            > 78 56 4B 3B 88 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002883B4AF680, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x000002883B4B3720, 16 bytes long.
 Data: <PVK;            > 50 56 4B 3B 88 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002883B4AF200, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x000002883B4B39A0, 16 bytes long.
 Data: < UK;            > 98 55 4B 3B 88 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002883B4B36D0, 16 bytes long.
 Data: <pUK;            > 70 55 4B 3B 88 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002883B4B3DB0, 16 bytes long.
 Data: <HUK;            > 48 55 4B 3B 88 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002883B4B35E0, 16 bytes long.
 Data: < UK;            > 20 55 4B 3B 88 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002883B4B34A0, 16 bytes long.
 Data: <&#248;TK;            > F8 54 4B 3B 88 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002883B4B3950, 16 bytes long.
 Data: <&#208;TK;            > D0 54 4B 3B 88 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002883B4B31D0, 16 bytes long.
 Data: <P&#215;J;            > 50 D7 4A 3B 88 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002883B4AD750, 40 bytes long.
 Data: <&#208;1K;    @g)=    > D0 31 4B 3B 88 02 00 00 40 67 29 3D 88 02 00 00 
{255} normal block at 0x000002883B4B3D10, 16 bytes long.
 Data: <&#176;TK;            > B0 54 4B 3B 88 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002883B4B3C20, 16 bytes long.
 Data: < TK;            > 88 54 4B 3B 88 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000002883B4AF4A0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x000002883B4B3E00, 16 bytes long.
 Data: <`TK;            > 60 54 4B 3B 88 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x000002883B4B5460, 992 bytes long.
 Data: < >K;    &#160;&#244;J;    > 00 3E 4B 3B 88 02 00 00 A0 F4 4A 3B 88 02 00 00 
{87} normal block at 0x000002883B4AF320, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x000002883B4A8F10, 16 bytes long.
 Data: <p&#221;J;            > 70 DD 4A 3B 88 02 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x000002883B4ADD70, 40 bytes long.
 Data: < &#143;J;     &#243;J;    > 10 8F 4A 3B 88 02 00 00 20 F3 4A 3B 88 02 00 00 
{64} normal block at 0x000002883B4A9820, 16 bytes long.
 Data: <&#128;&#234;&&#237;&#246;           > 80 EA 26 ED F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002883B4A8D80, 16 bytes long.
 Data: <@&#233;&&#237;&#246;           > 40 E9 26 ED F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002883B4A8D30, 16 bytes long.
 Data: <&#248;W#&#237;&#246;           > F8 57 23 ED F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002883B4A8E20, 16 bytes long.
 Data: <&#216;W#&#237;&#246;           > D8 57 23 ED F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002883B4A9640, 16 bytes long.
 Data: <P #&#237;&#246;           > 50 04 23 ED F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002883B4A9550, 16 bytes long.
 Data: <0 #&#237;&#246;           > 30 04 23 ED F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002883B4A8CE0, 16 bytes long.
 Data: <&#224; #&#237;&#246;           > E0 02 23 ED F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002883B4A9500, 16 bytes long.
 Data: <  #&#237;&#246;           > 10 04 23 ED F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002883B4A94B0, 16 bytes long.
 Data: <p #&#237;&#246;           > 70 04 23 ED F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000002883B4A9460, 16 bytes long.
 Data: < &#192;!&#237;&#246;           > 18 C0 21 ED F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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