Task 38660332

Name test_636-GPUGRID_TEST_ATM_40STEP_20261023-7-40-RND3366_0
Workunit 31603849
Created 24 Oct 2026, 14:01:09 UTC
Sent 24 Oct 2026, 14:17:43 UTC
Report deadline 29 Oct 2026, 14:17:43 UTC
Received 24 Oct 2026, 16:18:45 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 629206
Run time 49 min 17 sec
CPU time 49 min 17 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,848.68 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 702.64 MB
Peak swap size 5.35 GB
Peak disk usage 1.47 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
16:23:24 (31648): wrapper (7.9.26016): starting
16:23:24 (31648): 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
16:23:26 (31648): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:23:26 (31648): 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
17:16:17 (31648): C:/Windows/system32/cmd.exe exited; CPU time 2957.921875
17:16:17 (31648): 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: 66773913 bytes.
Dumping objects ->
{3835612} normal block at 0x000001C9ED93D2A0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835601} normal block at 0x000001C9ED93D1C0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835590} normal block at 0x000001C9ED93D540, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835579} normal block at 0x000001C9EBC24800, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835568} normal block at 0x000001C9EBC248E0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835537} normal block at 0x000001C9ED9863C0, 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) : {3835524} normal block at 0x000001C9EBC1EB20, 8 bytes long.
 Data: <  *&#236;&#201;   > 00 00 2A EC C9 01 00 00 
{3833967} normal block at 0x000001C9EBC1F520, 8 bytes long.
 Data: <&#192;Z&#161;&#237;&#201;   > C0 5A A1 ED C9 01 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000001C9EBC213B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000001C9EBC16820, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x000001C9EBC25440, 16 bytes long.
 Data: < f&#194;&#235;&#201;           > 88 66 C2 EB C9 01 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000001C9EBC25580, 16 bytes long.
 Data: <`f&#194;&#235;&#201;           > 60 66 C2 EB C9 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001C9EBC20160, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x000001C9EBC25B20, 16 bytes long.
 Data: <8f&#194;&#235;&#201;           > 38 66 C2 EB C9 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001C9EBC26200, 16 bytes long.
 Data: < f&#194;&#235;&#201;           > 10 66 C2 EB C9 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001C9EBC25A30, 16 bytes long.
 Data: <&#232;e&#194;&#235;&#201;           > E8 65 C2 EB C9 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001C9EBC258F0, 16 bytes long.
 Data: <&#192;e&#194;&#235;&#201;           > C0 65 C2 EB C9 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001C9EBC249C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x000001C9EBC253F0, 16 bytes long.
 Data: < &#181;&#192;&#235;&#201;           > 98 B5 C0 EB C9 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001C9EBC20460, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x000001C9EBC257B0, 16 bytes long.
 Data: <p&#181;&#192;&#235;&#201;           > 70 B5 C0 EB C9 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001C9EBC253A0, 16 bytes long.
 Data: <H&#181;&#192;&#235;&#201;           > 48 B5 C0 EB C9 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001C9EBC25850, 16 bytes long.
 Data: < &#181;&#192;&#235;&#201;           > 20 B5 C0 EB C9 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001C9EBC259E0, 16 bytes long.
 Data: <&#248;&#180;&#192;&#235;&#201;           > F8 B4 C0 EB C9 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001C9EBC25FD0, 16 bytes long.
 Data: <&#208;&#180;&#192;&#235;&#201;           > D0 B4 C0 EB C9 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001C9EBC258A0, 16 bytes long.
 Data: <&#168;&#180;&#192;&#235;&#201;           > A8 B4 C0 EB C9 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001C9EBC1F9E0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x000001C9EBC25490, 16 bytes long.
 Data: < &#180;&#192;&#235;&#201;           > 80 B4 C0 EB C9 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001C9EBC0B480, 320 bytes long.
 Data: < T&#194;&#235;&#201;   &#224;&#249;&#193;&#235;&#201;   > 90 54 C2 EB C9 01 00 00 E0 F9 C1 EB C9 01 00 00 
{279} normal block at 0x000001C9EBC25EE0, 16 bytes long.
 Data: <&#160;e&#194;&#235;&#201;           > A0 65 C2 EB C9 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001C9EBC25710, 16 bytes long.
 Data: <xe&#194;&#235;&#201;           > 78 65 C2 EB C9 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001C9EBC202E0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x000001C9EBC25760, 16 bytes long.
 Data: <Pe&#194;&#235;&#201;           > 50 65 C2 EB C9 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001C9EBC1FBC0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x000001C9EBC26160, 16 bytes long.
 Data: < d&#194;&#235;&#201;           > 98 64 C2 EB C9 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001C9EBC25620, 16 bytes long.
 Data: <pd&#194;&#235;&#201;           > 70 64 C2 EB C9 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001C9EBC25E40, 16 bytes long.
 Data: <Hd&#194;&#235;&#201;           > 48 64 C2 EB C9 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001C9EBC25F80, 16 bytes long.
 Data: < d&#194;&#235;&#201;           > 20 64 C2 EB C9 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001C9EBC262F0, 16 bytes long.
 Data: <&#248;c&#194;&#235;&#201;           > F8 63 C2 EB C9 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001C9EBC261B0, 16 bytes long.
 Data: <&#208;c&#194;&#235;&#201;           > D0 63 C2 EB C9 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001C9EBC256C0, 16 bytes long.
 Data: <&#208;L&#194;&#235;&#201;           > D0 4C C2 EB C9 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001C9EBC24CD0, 40 bytes long.
 Data: <&#192;V&#194;&#235;&#201;   &#192;c &#237;&#201;   > C0 56 C2 EB C9 01 00 00 C0 63 98 ED C9 01 00 00 
{265} normal block at 0x000001C9EBC25A80, 16 bytes long.
 Data: <&#176;c&#194;&#235;&#201;           > B0 63 C2 EB C9 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001C9EBC25530, 16 bytes long.
 Data: < c&#194;&#235;&#201;           > 88 63 C2 EB C9 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001C9EBC206A0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x000001C9EBC25DF0, 16 bytes long.
 Data: <`c&#194;&#235;&#201;           > 60 63 C2 EB C9 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001C9EBC26360, 992 bytes long.
 Data: <&#240;]&#194;&#235;&#201;   &#160; &#194;&#235;&#201;   > F0 5D C2 EB C9 01 00 00 A0 06 C2 EB C9 01 00 00 
{97} normal block at 0x000001C9EBC20220, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x000001C9EBC1ED00, 16 bytes long.
 Data: < K&#194;&#235;&#201;           > 80 4B C2 EB C9 01 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000001C9EBC24B80, 40 bytes long.
 Data: < &#237;&#193;&#235;&#201;     &#194;&#235;&#201;   > 00 ED C1 EB C9 01 00 00 20 02 C2 EB C9 01 00 00 
{74} normal block at 0x000001C9EBC1F7A0, 16 bytes long.
 Data: < &#234;&#164;%&#246;           > 80 EA A4 25 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000001C9EBC1F750, 16 bytes long.
 Data: <@&#233;&#164;%&#246;           > 40 E9 A4 25 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001C9EBC1EBC0, 16 bytes long.
 Data: <&#248;W&#161;%&#246;           > F8 57 A1 25 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001C9EBC1E8F0, 16 bytes long.
 Data: <&#216;W&#161;%&#246;           > D8 57 A1 25 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001C9EBC1EC60, 16 bytes long.
 Data: <P &#161;%&#246;           > 50 04 A1 25 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001C9EBC1EDA0, 16 bytes long.
 Data: <0 &#161;%&#246;           > 30 04 A1 25 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001C9EBC1F2A0, 16 bytes long.
 Data: <&#224; &#161;%&#246;           > E0 02 A1 25 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001C9EBC1F610, 16 bytes long.
 Data: <  &#161;%&#246;           > 10 04 A1 25 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001C9EBC1F1B0, 16 bytes long.
 Data: <p &#161;%&#246;           > 70 04 A1 25 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001C9EBC1EE40, 16 bytes long.
 Data: < &#192;&#159;%&#246;           > 18 C0 9F 25 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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