Task 38683068

Name test_458-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND1589_0
Workunit 31624648
Created 27 Oct 2026, 10:18:33 UTC
Sent 27 Oct 2026, 10:18:34 UTC
Report deadline 1 Nov 2026, 10:18:34 UTC
Received 27 Oct 2026, 12:28:39 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 637325
Run time 1 hours 9 min 1 sec
CPU time 1 hours 3 min 41 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,571.92 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 899.29 MB
Peak swap size 2.21 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
13:21:04 (2352): wrapper (7.9.26016): starting
13:21:04 (2352): 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
13:21:06 (2352): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:21:06 (2352): 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\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 'C:\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
14:28:20 (2352): C:/Windows/system32/cmd.exe exited; CPU time 3821.421875
14:28:20 (2352): 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: 48408561 bytes.
Dumping objects ->
{3835194} normal block at 0x0000021248300ED0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835183} normal block at 0x0000021248301250, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835172} normal block at 0x0000021248300BC0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835161} normal block at 0x0000021248300C30, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835150} normal block at 0x00000212483016B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835119} normal block at 0x000002124843AB40, 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) : {3835106} normal block at 0x0000021246986000, 8 bytes long.
 Data: <   F    > 00 00 8F 46 12 02 00 00 
{3833949} normal block at 0x0000021246985AB0, 8 bytes long.
 Data: <&#240;&#215; F    > F0 D7 9D 46 12 02 00 00 
..\zip\boinc_zip.cpp(122) : {306} normal block at 0x0000021246990EE0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000021246991E20, 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 0x0000021246992B50, 16 bytes long.
 Data: <&#184;3 F            > B8 33 99 46 12 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000021246992B00, 16 bytes long.
 Data: < 3 F            > 90 33 99 46 12 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002124698C520, 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 0x0000021246991F70, 16 bytes long.
 Data: <h3 F            > 68 33 99 46 12 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000021246992BF0, 16 bytes long.
 Data: <@3 F            > 40 33 99 46 12 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000021246992380, 16 bytes long.
 Data: < 3 F            > 18 33 99 46 12 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021246992BA0, 16 bytes long.
 Data: <&#240;2 F            > F0 32 99 46 12 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002124698A4C0, 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 0x0000021246992A60, 16 bytes long.
 Data: <&#184;  F            > B8 1D 99 46 12 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002124698C7C0, 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 0x0000021246992E70, 16 bytes long.
 Data: <   F            > 90 1D 99 46 12 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000021246992AB0, 16 bytes long.
 Data: <h  F            > 68 1D 99 46 12 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000021246992C40, 16 bytes long.
 Data: <@  F            > 40 1D 99 46 12 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000021246992510, 16 bytes long.
 Data: <   F            > 18 1D 99 46 12 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021246992150, 16 bytes long.
 Data: <&#240;  F            > F0 1C 99 46 12 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000212469929C0, 16 bytes long.
 Data: <&#200;  F            > C8 1C 99 46 12 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002124698BAA0, 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 0x0000021246992330, 16 bytes long.
 Data: <&#160;  F            > A0 1C 99 46 12 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021246991CA0, 320 bytes long.
 Data: <0# F    &#160;&#186; F    > 30 23 99 46 12 02 00 00 A0 BA 98 46 12 02 00 00 
{270} normal block at 0x0000021246992060, 16 bytes long.
 Data: <&#208;2 F            > D0 32 99 46 12 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000212469928D0, 16 bytes long.
 Data: <&#168;2 F            > A8 32 99 46 12 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002124698C4C0, 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 0x0000021246992880, 16 bytes long.
 Data: < 2 F            > 80 32 99 46 12 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002124698C760, 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 0x00000212469920B0, 16 bytes long.
 Data: <&#200;1 F            > C8 31 99 46 12 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021246992420, 16 bytes long.
 Data: <&#160;1 F            > A0 31 99 46 12 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000212469926F0, 16 bytes long.
 Data: <x1 F            > 78 31 99 46 12 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000212469927E0, 16 bytes long.
 Data: <P1 F            > 50 31 99 46 12 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000021246992C90, 16 bytes long.
 Data: <(1 F            > 28 31 99 46 12 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000021246992650, 16 bytes long.
 Data: < 1 F            > 00 31 99 46 12 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000021246992740, 16 bytes long.
 Data: <&#160;&#165; F            > A0 A5 98 46 12 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000002124698A5A0, 40 bytes long.
 Data: <@' F    @&#171;CH    > 40 27 99 46 12 02 00 00 40 AB 43 48 12 02 00 00 
{256} normal block at 0x0000021246992790, 16 bytes long.
 Data: <&#224;0 F            > E0 30 99 46 12 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000021246992E20, 16 bytes long.
 Data: <&#184;0 F            > B8 30 99 46 12 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000002124698C700, 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 0x00000212469925B0, 16 bytes long.
 Data: < 0 F            > 90 30 99 46 12 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000021246993090, 992 bytes long.
 Data: <&#176;% F     &#199; F    > B0 25 99 46 12 02 00 00 00 C7 98 46 12 02 00 00 
{88} normal block at 0x000002124698C640, 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 0x0000021246985A10, 16 bytes long.
 Data: <P&#171; F            > 50 AB 98 46 12 02 00 00 00 00 00 00 00 00 00 00 
{86} normal block at 0x000002124698AB50, 40 bytes long.
 Data: < Z F    @&#198; F    > 10 5A 98 46 12 02 00 00 40 C6 98 46 12 02 00 00 
{65} normal block at 0x00000212469863C0, 16 bytes long.
 Data: < &#234;&#192;j&#247;           > 80 EA C0 6A F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000212469862D0, 16 bytes long.
 Data: <@&#233;&#192;j&#247;           > 40 E9 C0 6A F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000021246986190, 16 bytes long.
 Data: <&#248;W&#189;j&#247;           > F8 57 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000021246985D30, 16 bytes long.
 Data: <&#216;W&#189;j&#247;           > D8 57 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000021246986550, 16 bytes long.
 Data: <P &#189;j&#247;           > 50 04 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000021246985740, 16 bytes long.
 Data: <0 &#189;j&#247;           > 30 04 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000021246985FB0, 16 bytes long.
 Data: <&#224; &#189;j&#247;           > E0 02 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000212469859C0, 16 bytes long.
 Data: <  &#189;j&#247;           > 10 04 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000021246985920, 16 bytes long.
 Data: <p &#189;j&#247;           > 70 04 BD 6A F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000021246985F10, 16 bytes long.
 Data: < &#192;&#187;j&#247;           > 18 C0 BB 6A F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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