Task 38677397

Name test_358-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND1982_0
Workunit 31619270
Created 26 Oct 2026, 14:13:56 UTC
Sent 26 Oct 2026, 14:14:01 UTC
Report deadline 31 Oct 2026, 14:14:01 UTC
Received 26 Oct 2026, 15:30:18 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 620057
Run time 46 min 21 sec
CPU time 40 min 13 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,156.89 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 699.77 MB
Peak swap size 5.22 GB
Peak disk usage 3.74 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:44:29 (17744): wrapper (7.9.26016): starting
16:44:29 (17744): 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
16:44:31 (17744): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:44:31 (17744): 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\0\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\0\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
17:29:39 (17744): C:/Windows/system32/cmd.exe exited; CPU time 2413.484375
17:29:39 (17744): 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: 40911749 bytes.
Dumping objects ->
{3835181} normal block at 0x0000021768C91940, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835170} normal block at 0x0000021768C918D0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835159} normal block at 0x0000021768C91860, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835148} normal block at 0x0000021768C919B0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835137} normal block at 0x0000021768C917F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835106} normal block at 0x000002176A8CAF00, 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) : {3835093} normal block at 0x0000021768C8A480, 8 bytes long.
 Data: <  &#194;h    > 00 00 C2 68 17 02 00 00 
{3833945} normal block at 0x0000021768C8A9D0, 8 bytes long.
 Data: <&#192;&#191;&#199;h    > C0 BF C7 68 17 02 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000021768C7EF30, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000021768C8D0B0, 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 0x0000021768C92820, 16 bytes long.
 Data: <&#184;4&#201;h            > B8 34 C9 68 17 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000021768C92780, 16 bytes long.
 Data: < 4&#201;h            > 90 34 C9 68 17 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000021768C8D640, 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 0x0000021768C92D20, 16 bytes long.
 Data: <h4&#201;h            > 68 34 C9 68 17 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000021768C921E0, 16 bytes long.
 Data: <@4&#201;h            > 40 34 C9 68 17 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000021768C92A50, 16 bytes long.
 Data: < 4&#201;h            > 18 34 C9 68 17 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000021768C926E0, 16 bytes long.
 Data: <&#240;3&#201;h            > F0 33 C9 68 17 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000021768C91A90, 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 0x0000021768C92910, 16 bytes long.
 Data: <X&#229;&#199;h            > 58 E5 C7 68 17 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000021768C8D280, 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 0x0000021768C92CD0, 16 bytes long.
 Data: <0&#229;&#199;h            > 30 E5 C7 68 17 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000021768C92370, 16 bytes long.
 Data: < &#229;&#199;h            > 08 E5 C7 68 17 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000021768C92C80, 16 bytes long.
 Data: <&#224;&#228;&#199;h            > E0 E4 C7 68 17 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000021768C92690, 16 bytes long.
 Data: <&#184;&#228;&#199;h            > B8 E4 C7 68 17 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000021768C92320, 16 bytes long.
 Data: < &#228;&#199;h            > 90 E4 C7 68 17 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000021768C91E20, 16 bytes long.
 Data: <h&#228;&#199;h            > 68 E4 C7 68 17 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000021768C8D9A0, 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 0x0000021768C91FB0, 16 bytes long.
 Data: <@&#228;&#199;h            > 40 E4 C7 68 17 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000021768C7E440, 320 bytes long.
 Data: <&#176; &#201;h    &#160;&#217;&#200;h    > B0 1F C9 68 17 02 00 00 A0 D9 C8 68 17 02 00 00 
{268} normal block at 0x0000021768C92640, 16 bytes long.
 Data: <&#208;3&#201;h            > D0 33 C9 68 17 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000021768C923C0, 16 bytes long.
 Data: <&#168;3&#201;h            > A8 33 C9 68 17 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000021768C8D6A0, 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 0x0000021768C92AF0, 16 bytes long.
 Data: < 3&#201;h            > 80 33 C9 68 17 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000021768C8DD00, 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 0x0000021768C92B90, 16 bytes long.
 Data: <&#200;2&#201;h            > C8 32 C9 68 17 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000021768C925F0, 16 bytes long.
 Data: <&#160;2&#201;h            > A0 32 C9 68 17 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000021768C925A0, 16 bytes long.
 Data: <x2&#201;h            > 78 32 C9 68 17 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000021768C92550, 16 bytes long.
 Data: <P2&#201;h            > 50 32 C9 68 17 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000021768C92500, 16 bytes long.
 Data: <(2&#201;h            > 28 32 C9 68 17 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000021768C924B0, 16 bytes long.
 Data: < 2&#201;h            > 00 32 C9 68 17 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000021768C92460, 16 bytes long.
 Data: <p &#201;h            > 70 1B C9 68 17 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000021768C91B70, 40 bytes long.
 Data: <`$&#201;h     &#175;&#140;j    > 60 24 C9 68 17 02 00 00 00 AF 8C 6A 17 02 00 00 
{254} normal block at 0x0000021768C92A00, 16 bytes long.
 Data: <&#224;1&#201;h            > E0 31 C9 68 17 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000021768C92280, 16 bytes long.
 Data: <&#184;1&#201;h            > B8 31 C9 68 17 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000021768C8D940, 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 0x0000021768C922D0, 16 bytes long.
 Data: < 1&#201;h            > 90 31 C9 68 17 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x0000021768C93190, 992 bytes long.
 Data: <&#208;"&#201;h    @&#217;&#200;h    > D0 22 C9 68 17 02 00 00 40 D9 C8 68 17 02 00 00 
{86} normal block at 0x0000021768C8D820, 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 0x0000021768C8AE80, 16 bytes long.
 Data: <p&#171;&#199;h            > 70 AB C7 68 17 02 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x0000021768C7AB70, 40 bytes long.
 Data: < &#174;&#200;h     &#216;&#200;h    > 80 AE C8 68 17 02 00 00 20 D8 C8 68 17 02 00 00 
{63} normal block at 0x0000021768C8A8E0, 16 bytes long.
 Data: < &#234; &#225;&#247;           > 80 EA 99 E1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000021768C8A890, 16 bytes long.
 Data: <@&#233; &#225;&#247;           > 40 E9 99 E1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000021768C8AA70, 16 bytes long.
 Data: <&#248;W&#150;&#225;&#247;           > F8 57 96 E1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000021768C8B150, 16 bytes long.
 Data: <&#216;W&#150;&#225;&#247;           > D8 57 96 E1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000021768C8A700, 16 bytes long.
 Data: <P &#150;&#225;&#247;           > 50 04 96 E1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000021768C8A750, 16 bytes long.
 Data: <0 &#150;&#225;&#247;           > 30 04 96 E1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000021768C8AC00, 16 bytes long.
 Data: <&#224; &#150;&#225;&#247;           > E0 02 96 E1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000021768C8AAC0, 16 bytes long.
 Data: <  &#150;&#225;&#247;           > 10 04 96 E1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000021768C8A660, 16 bytes long.
 Data: <p &#150;&#225;&#247;           > 70 04 96 E1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000021768C8A520, 16 bytes long.
 Data: < &#192;&#148;&#225;&#247;           > 18 C0 94 E1 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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