Task 38645564

Name	test_191-GPUGRID_TEST_ATM_500_20261023-0-1-RND4549_0
Workunit	31590528
Created	23 Oct 2026, 16:06:53 UTC
Sent	23 Oct 2026, 16:10:42 UTC
Report deadline	28 Oct 2026, 16:10:42 UTC
Received	23 Oct 2026, 16:57:55 UTC
Server state	Over
Outcome	Success
Client state	Done
Exit status	0 (0x00000000)
Computer ID	517019
Run time	42 min 42 sec
CPU time	40 min 24 sec
Validate state	Valid
Credit	1,000.00
Device peak FLOPS	5,579.29 GFLOPS
Application version	ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64
Peak working set size	676.89 MB
Peak swap size	3.70 GB
Peak disk usage	2.97 GB
Stderr output

<core_client_version>7.16.20</core_client_version>
<![CDATA[
<stderr_txt>
01:12:33 (22940): wrapper (7.9.26016): starting
01:12:33 (22940): 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
01:12:35 (22940): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:12:35 (22940): 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 'E:\boinc\slots\5\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 'E:\boinc\slots\5\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
01:53:52 (22940): C:/Windows/system32/cmd.exe exited; CPU time 2424.968750
01:53:52 (22940): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 38854467 bytes.
Dumping objects ->
{3835376} normal block at 0x0000026420270CA0, 48 bytes long.
 Data: <PATH=E:\boinc\sl> 50 41 54 48 3D 45 3A 5C 62 6F 69 6E 63 5C 73 6C 
{3835365} normal block at 0x00000264203B7610, 32 bytes long.
 Data: <HOME=E:\boinc\sl> 48 4F 4D 45 3D 45 3A 5C 62 6F 69 6E 63 5C 73 6C 
{3835354} normal block at 0x00000264203B61D0, 32 bytes long.
 Data: <TMP=E:\boinc\slo> 54 4D 50 3D 45 3A 5C 62 6F 69 6E 63 5C 73 6C 6F 
{3835343} normal block at 0x00000264203B6A10, 32 bytes long.
 Data: <TEMP=E:\boinc\sl> 54 45 4D 50 3D 45 3A 5C 62 6F 69 6E 63 5C 73 6C 
{3835332} normal block at 0x00000264203B5F30, 32 bytes long.
 Data: <TMPDIR=E:\boinc\> 54 4D 50 44 49 52 3D 45 3A 5C 62 6F 69 6E 63 5C 
{3835301} normal block at 0x0000026420270920, 48 bytes long.
 Data: <PATH=E:\boinc\sl> 50 41 54 48 3D 45 3A 5C 62 6F 69 6E 63 5C 73 6C 
..\api\boinc_api.cpp(309) : {3835288} normal block at 0x000002641E56C070, 8 bytes long.
 Data: <  T d   > 00 00 54 1E 64 02 00 00 
{3834037} normal block at 0x000002641E56C020, 8 bytes long.
 Data: <  U d   > 00 ED 55 1E 64 02 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000002641E575180, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002641E550780, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x000002641E577200, 16 bytes long.
 Data: < yW d           > E8 79 57 1E 64 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002641E577020, 16 bytes long.
 Data: <&#192;yW d           > C0 79 57 1E 64 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002641E571E70, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x000002641E576620, 16 bytes long.
 Data: < yW d           > 98 79 57 1E 64 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002641E576FD0, 16 bytes long.
 Data: <pyW d           > 70 79 57 1E 64 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002641E576490, 16 bytes long.
 Data: <HyW d           > 48 79 57 1E 64 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002641E576A80, 16 bytes long.
 Data: < yW d           > 20 79 57 1E 64 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002641E5703B0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x000002641E576F80, 16 bytes long.
 Data: <h U d           > 68 FD 55 1E 64 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002641E571F90, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x000002641E576F30, 16 bytes long.
 Data: <@ U d           > 40 FD 55 1E 64 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002641E576E40, 16 bytes long.
 Data: <  U d           > 18 FD 55 1E 64 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002641E5769E0, 16 bytes long.
 Data: <  U d           > F0 FC 55 1E 64 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002641E576710, 16 bytes long.
 Data: <&#200; U d           > C8 FC 55 1E 64 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002641E576DF0, 16 bytes long.
 Data: <  U d           > A0 FC 55 1E 64 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002641E576D50, 16 bytes long.
 Data: <x U d           > 78 FC 55 1E 64 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002641E572590, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x000002641E576B20, 16 bytes long.
 Data: <P U d           > 50 FC 55 1E 64 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002641E55FC50, 320 bytes long.
 Data: < kW d    %W d   > 20 6B 57 1E 64 02 00 00 90 25 57 1E 64 02 00 00 
{271} normal block at 0x000002641E5771B0, 16 bytes long.
 Data: < yW d           > 00 79 57 1E 64 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002641E576940, 16 bytes long.
 Data: <&#216;xW d           > D8 78 57 1E 64 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002641E5723B0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x000002641E576440, 16 bytes long.
 Data: <&#176;xW d           > B0 78 57 1E 64 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002641E5719F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x000002641E576CB0, 16 bytes long.
 Data: < wW d           > F8 77 57 1E 64 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002641E576760, 16 bytes long.
 Data: <&#208;wW d           > D0 77 57 1E 64 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002641E5768A0, 16 bytes long.
 Data: <&#168;wW d           > A8 77 57 1E 64 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002641E576990, 16 bytes long.
 Data: < wW d           > 80 77 57 1E 64 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002641E576D00, 16 bytes long.
 Data: <XwW d           > 58 77 57 1E 64 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002641E5766C0, 16 bytes long.
 Data: <0wW d           > 30 77 57 1E 64 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002641E576E90, 16 bytes long.
 Data: <p W d           > 70 05 57 1E 64 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002641E570570, 40 bytes long.
 Data: < nW d    	' d   > 90 6E 57 1E 64 02 00 00 20 09 27 20 64 02 00 00 
{257} normal block at 0x000002641E576800, 16 bytes long.
 Data: < wW d           > 10 77 57 1E 64 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002641E576A30, 16 bytes long.
 Data: < vW d           > E8 76 57 1E 64 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002641E5728F0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x000002641E576350, 16 bytes long.
 Data: <&#192;vW d           > C0 76 57 1E 64 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000002641E5776C0, 992 bytes long.
 Data: <PcW d    (W d   > 50 63 57 1E 64 02 00 00 F0 28 57 1E 64 02 00 00 
{89} normal block at 0x000002641E572170, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x000002641E56B990, 16 bytes long.
 Data: <&#208; W d           > D0 02 57 1E 64 02 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000002641E5702D0, 40 bytes long.
 Data: < &#185;V d   p!W d   > 90 B9 56 1E 64 02 00 00 70 21 57 1E 64 02 00 00 
{64} normal block at 0x000002641E56BEE0, 16 bytes long.
 Data: <   I            > 80 EA 01 49 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002641E56BE90, 16 bytes long.
 Data: <@  I            > 40 E9 01 49 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002641E56B7B0, 16 bytes long.
 Data: < W H            > F8 57 FE 48 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002641E56C2A0, 16 bytes long.
 Data: <&#216;W H            > D8 57 FE 48 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002641E56C250, 16 bytes long.
 Data: <P  H            > 50 04 FE 48 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002641E56BFD0, 16 bytes long.
 Data: <0  H            > 30 04 FE 48 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002641E56BA80, 16 bytes long.
 Data: <   H            > E0 02 FE 48 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002641E56B5D0, 16 bytes long.
 Data: <   H            > 10 04 FE 48 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002641E56BA30, 16 bytes long.
 Data: <p  H            > 70 04 FE 48 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000002641E56C430, 16 bytes long.
 Data: < &#192; H            > 18 C0 FC 48 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>