Task 38684897

Name test_95-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND1486_0
Workunit 31626396
Created 27 Oct 2026, 18:27:26 UTC
Sent 27 Oct 2026, 18:27:31 UTC
Report deadline 1 Nov 2026, 18:27:31 UTC
Received 27 Oct 2026, 23:14:01 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 647670
Run time 36 min 57 sec
CPU time 34 min 49 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,117.86 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 686.21 MB
Peak swap size 6.86 GB
Peak disk usage 3.76 GB

Stderr output

<core_client_version>8.2.15</core_client_version>
<![CDATA[
<stderr_txt>
23:38:19 (12800): wrapper (7.9.26016): starting
23:38:19 (12800): 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
23:38:20 (12800): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:38:20 (12800): 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\6\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\6\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
00:13:43 (12800): C:/Windows/system32/cmd.exe exited; CPU time 2089.203125
00:13:43 (12800): called boinc_finish(0)
0 bytes in 0 Free Blocks.
544 bytes in 8 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: 36495139 bytes.
Dumping objects ->
{3835240} normal block at 0x0000024988A64DD0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835229} normal block at 0x0000024988A64C80, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835218} normal block at 0x0000024988A64C10, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835207} normal block at 0x0000024988A64BA0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835196} normal block at 0x0000024988A64E40, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835165} normal block at 0x000002498A6DBCB0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835154} normal block at 0x0000024988ABC8C0, 144 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835151} normal block at 0x0000024988A5EF90, 8 bytes long.
 Data: <  &#241; I   > 00 00 F1 88 49 02 00 00 
{3834552} normal block at 0x0000024988ABC650, 144 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x0000024988A5F210, 8 bytes long.
 Data: <&#176;&#173;&#168; I   > B0 AD A8 88 49 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x0000024988A60830, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000024988A55F90, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x0000024988A65DF0, 16 bytes long.
 Data: <hj&#166; I           > 68 6A A6 88 49 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000024988A661B0, 16 bytes long.
 Data: <@j&#166; I           > 40 6A A6 88 49 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000024988A60440, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x0000024988A65F80, 16 bytes long.
 Data: < j&#166; I           > 18 6A A6 88 49 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000024988A659E0, 16 bytes long.
 Data: <&#240;i&#166; I           > F0 69 A6 88 49 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000024988A66070, 16 bytes long.
 Data: <&#200;i&#166; I           > C8 69 A6 88 49 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000024988A65940, 16 bytes long.
 Data: <&#160;i&#166; I           > A0 69 A6 88 49 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000024988A64900, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x0000024988A65990, 16 bytes long.
 Data: <(G&#166; I           > 28 47 A6 88 49 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000024988A5F6C0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x0000024988A65D50, 16 bytes long.
 Data: < G&#166; I           > 00 47 A6 88 49 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000024988A658F0, 16 bytes long.
 Data: <&#216;F&#166; I           > D8 46 A6 88 49 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000024988A66160, 16 bytes long.
 Data: <&#176;F&#166; I           > B0 46 A6 88 49 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000024988A66020, 16 bytes long.
 Data: < F&#166; I           > 88 46 A6 88 49 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000024988A65800, 16 bytes long.
 Data: <`F&#166; I           > 60 46 A6 88 49 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000024988A66390, 16 bytes long.
 Data: <8F&#166; I           > 38 46 A6 88 49 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000024988A60200, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x0000024988A65F30, 16 bytes long.
 Data: < F&#166; I           > 10 46 A6 88 49 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000024988A64610, 320 bytes long.
 Data: <0_&#166; I     &#166; I   > 30 5F A6 88 49 02 00 00 00 02 A6 88 49 02 00 00 
{274} normal block at 0x0000024988A65710, 16 bytes long.
 Data: < i&#166; I           > 80 69 A6 88 49 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000024988A664D0, 16 bytes long.
 Data: <Xi&#166; I           > 58 69 A6 88 49 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000024988A601A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x0000024988A657B0, 16 bytes long.
 Data: <0i&#166; I           > 30 69 A6 88 49 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000024988A5FB40, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x0000024988A65E90, 16 bytes long.
 Data: <xh&#166; I           > 78 68 A6 88 49 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000024988A65A80, 16 bytes long.
 Data: <Ph&#166; I           > 50 68 A6 88 49 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000024988A65A30, 16 bytes long.
 Data: <(h&#166; I           > 28 68 A6 88 49 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000024988A66430, 16 bytes long.
 Data: < h&#166; I           > 00 68 A6 88 49 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000024988A65D00, 16 bytes long.
 Data: <&#216;g&#166; I           > D8 67 A6 88 49 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000024988A65DA0, 16 bytes long.
 Data: <&#176;g&#166; I           > B0 67 A6 88 49 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000024988A66480, 16 bytes long.
 Data: <&#240;L&#166; I           > F0 4C A6 88 49 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000024988A64CF0, 40 bytes long.
 Data: < d&#166; I   &#176;&#188;m&#138;I   > 80 64 A6 88 49 02 00 00 B0 BC 6D 8A 49 02 00 00 
{260} normal block at 0x0000024988A65850, 16 bytes long.
 Data: < g&#166; I           > 90 67 A6 88 49 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000024988A65FD0, 16 bytes long.
 Data: <hg&#166; I           > 68 67 A6 88 49 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000024988A5F7E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x0000024988A65760, 16 bytes long.
 Data: <@g&#166; I           > 40 67 A6 88 49 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000024988A66740, 992 bytes long.
 Data: <`W&#166; I   &#224;&#247;&#165; I   > 60 57 A6 88 49 02 00 00 E0 F7 A5 88 49 02 00 00 
{92} normal block at 0x0000024988A5F600, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x0000024988A5E8B0, 16 bytes long.
 Data: < &#140;&#164; I           > 20 8C A4 88 49 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x0000024988A48C20, 40 bytes long.
 Data: <&#176;&#232;&#165; I    &#246;&#165; I   > B0 E8 A5 88 49 02 00 00 00 F6 A5 88 49 02 00 00 
{69} normal block at 0x0000024988A5F350, 16 bytes long.
 Data: < &#234;4 &#247;           > 80 EA 34 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000024988A5E770, 16 bytes long.
 Data: <@&#233;4 &#247;           > 40 E9 34 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000024988A5E680, 16 bytes long.
 Data: <&#248;W1 &#247;           > F8 57 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000024988A5E860, 16 bytes long.
 Data: <&#216;W1 &#247;           > D8 57 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000024988A5EE50, 16 bytes long.
 Data: <P 1 &#247;           > 50 04 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000024988A5F120, 16 bytes long.
 Data: <0 1 &#247;           > 30 04 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000024988A5F300, 16 bytes long.
 Data: <&#224; 1 &#247;           > E0 02 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000024988A5E950, 16 bytes long.
 Data: <  1 &#247;           > 10 04 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000024988A5E630, 16 bytes long.
 Data: <p 1 &#247;           > 70 04 31 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000024988A5ED60, 16 bytes long.
 Data: < &#192;/ &#247;           > 18 C0 2F 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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