Task 38678041

Name test_588-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND9358_0
Workunit 31619883
Created 26 Oct 2026, 16:11:51 UTC
Sent 26 Oct 2026, 16:11:59 UTC
Report deadline 31 Oct 2026, 16:11:59 UTC
Received 26 Oct 2026, 16:54:24 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 494803
Run time 36 min 39 sec
CPU time 29 min 42 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,067.36 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 669.44 MB
Peak swap size 3.80 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:18:28 (8096): wrapper (7.9.26016): starting
17:18:28 (8096): 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
17:18:30 (8096): Library/usr/bin/tar.exe exited; CPU time 0.015625
17:18:30 (8096): 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\3\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\3\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
17:54:03 (8096): C:/Windows/system32/cmd.exe exited; CPU time 1782.109375
17:54:03 (8096): 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: 35611625 bytes.
Dumping objects ->
{3835522} normal block at 0x0000020F41D66BF0, 48 bytes long.
 Data: <PATH=E:\BOINC\sl> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835511} normal block at 0x0000020F43926150, 32 bytes long.
 Data: <HOME=E:\BOINC\sl> 48 4F 4D 45 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835500} normal block at 0x0000020F43926090, 32 bytes long.
 Data: <TMP=E:\BOINC\slo> 54 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835489} normal block at 0x0000020F439260F0, 32 bytes long.
 Data: <TEMP=E:\BOINC\sl> 54 45 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835478} normal block at 0x0000020F43926030, 32 bytes long.
 Data: <TMPDIR=E:\BOINC\> 54 4D 50 44 49 52 3D 45 3A 5C 42 4F 49 4E 43 5C 
{3835447} normal block at 0x0000020F41D66B80, 48 bytes long.
 Data: <PATH=E:\BOINC\sl> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
..\api\boinc_api.cpp(309) : {3835434} normal block at 0x0000020F41D36980, 8 bytes long.
 Data: <  &#159;C    > 00 00 9F 43 0F 02 00 00 
{3833955} normal block at 0x0000020F41D36B60, 8 bytes long.
 Data: <&#208;&#232;~C    > D0 E8 7E 43 0F 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000020F41D41730, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020F41D3CDF0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x0000020F41D42B30, 16 bytes long.
 Data: <(<&#212;A            > 28 3C D4 41 0F 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020F41D42AE0, 16 bytes long.
 Data: < <&#212;A            > 00 3C D4 41 0F 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020F41D3BF10, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x0000020F41D43440, 16 bytes long.
 Data: <&#216;;&#212;A            > D8 3B D4 41 0F 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020F41D42E50, 16 bytes long.
 Data: <&#176;;&#212;A            > B0 3B D4 41 0F 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020F41D42A90, 16 bytes long.
 Data: < ;&#212;A            > 88 3B D4 41 0F 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020F41D43030, 16 bytes long.
 Data: <`;&#212;A            > 60 3B D4 41 0F 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020F41D3D640, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x0000020F41D431C0, 16 bytes long.
 Data: <&#216;^&#210;A            > D8 5E D2 41 0F 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020F41D3BA90, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x0000020F41D430D0, 16 bytes long.
 Data: <&#176;^&#210;A            > B0 5E D2 41 0F 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020F41D428B0, 16 bytes long.
 Data: < ^&#210;A            > 88 5E D2 41 0F 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020F41D42DB0, 16 bytes long.
 Data: <`^&#210;A            > 60 5E D2 41 0F 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020F41D42BD0, 16 bytes long.
 Data: <8^&#210;A            > 38 5E D2 41 0F 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020F41D42FE0, 16 bytes long.
 Data: < ^&#210;A            > 10 5E D2 41 0F 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020F41D433F0, 16 bytes long.
 Data: <&#232;]&#210;A            > E8 5D D2 41 0F 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020F41D3C450, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x0000020F41D429A0, 16 bytes long.
 Data: <&#192;]&#210;A            > C0 5D D2 41 0F 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020F41D25DC0, 320 bytes long.
 Data: <&#160;)&#212;A    P&#196;&#211;A    > A0 29 D4 41 0F 02 00 00 50 C4 D3 41 0F 02 00 00 
{273} normal block at 0x0000020F41D42720, 16 bytes long.
 Data: <@;&#212;A            > 40 3B D4 41 0F 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020F41D433A0, 16 bytes long.
 Data: < ;&#212;A            > 18 3B D4 41 0F 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020F41D3C510, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x0000020F41D42D60, 16 bytes long.
 Data: <&#240;:&#212;A            > F0 3A D4 41 0F 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020F41D3BA30, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x0000020F41D42A40, 16 bytes long.
 Data: <8:&#212;A            > 38 3A D4 41 0F 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020F41D43300, 16 bytes long.
 Data: < :&#212;A            > 10 3A D4 41 0F 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020F41D426D0, 16 bytes long.
 Data: <&#232;9&#212;A            > E8 39 D4 41 0F 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020F41D43350, 16 bytes long.
 Data: <&#192;9&#212;A            > C0 39 D4 41 0F 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020F41D429F0, 16 bytes long.
 Data: < 9&#212;A            > 98 39 D4 41 0F 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020F41D42E00, 16 bytes long.
 Data: <p9&#212;A            > 70 39 D4 41 0F 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020F41D42770, 16 bytes long.
 Data: <&#208;&#213;&#211;A            > D0 D5 D3 41 0F 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020F41D3D5D0, 40 bytes long.
 Data: <p'&#212;A     k&#214;A    > 70 27 D4 41 0F 02 00 00 80 6B D6 41 0F 02 00 00 
{259} normal block at 0x0000020F41D43170, 16 bytes long.
 Data: <P9&#212;A            > 50 39 D4 41 0F 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020F41D42F90, 16 bytes long.
 Data: <(9&#212;A            > 28 39 D4 41 0F 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000020F41D3C3F0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x0000020F41D42630, 16 bytes long.
 Data: < 9&#212;A            > 00 39 D4 41 0F 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000020F41D43900, 992 bytes long.
 Data: <0&&#212;A    &#240;&#195;&#211;A    > 30 26 D4 41 0F 02 00 00 F0 C3 D3 41 0F 02 00 00 
{91} normal block at 0x0000020F41D3B910, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x0000020F41D371A0, 16 bytes long.
 Data: <p&#216;&#211;A            > 70 D8 D3 41 0F 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x0000020F41D3D870, 40 bytes long.
 Data: <&#160;q&#211;A     &#185;&#211;A    > A0 71 D3 41 0F 02 00 00 10 B9 D3 41 0F 02 00 00 
{68} normal block at 0x0000020F41D374C0, 16 bytes long.
 Data: < &#234;j&#140;&#246;           > 80 EA 6A 8C F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020F41D376A0, 16 bytes long.
 Data: <@&#233;j&#140;&#246;           > 40 E9 6A 8C F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020F41D37650, 16 bytes long.
 Data: <&#248;Wg&#140;&#246;           > F8 57 67 8C F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020F41D36B10, 16 bytes long.
 Data: <&#216;Wg&#140;&#246;           > D8 57 67 8C F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020F41D37290, 16 bytes long.
 Data: <P g&#140;&#246;           > 50 04 67 8C F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020F41D37600, 16 bytes long.
 Data: <0 g&#140;&#246;           > 30 04 67 8C F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020F41D36AC0, 16 bytes long.
 Data: <&#224; g&#140;&#246;           > E0 02 67 8C F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000020F41D36A70, 16 bytes long.
 Data: <  g&#140;&#246;           > 10 04 67 8C F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000020F41D36D40, 16 bytes long.
 Data: <p g&#140;&#246;           > 70 04 67 8C F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000020F41D37380, 16 bytes long.
 Data: < &#192;e&#140;&#246;           > 18 C0 65 8C F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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