Task 38679839

Name test_576-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND2796_0
Workunit 31621599
Created 26 Oct 2026, 21:57:12 UTC
Sent 26 Oct 2026, 21:57:19 UTC
Report deadline 31 Oct 2026, 21:57:19 UTC
Received 26 Oct 2026, 22:56:48 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 163955
Run time 20 min 29 sec
CPU time 17 min 46 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,424.04 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 719.91 MB
Peak swap size 8.42 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
23:36:30 (4816): wrapper (7.9.26016): starting
23:36:30 (4816): 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
23:36:31 (4816): Library/usr/bin/tar.exe exited; CPU time 0.000000
23:36:31 (4816): 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 'G:\PROGRAM1\BOINC\DATA\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 'G:\PROGRAM1\BOINC\DATA\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
23:56:28 (4816): C:/Windows/system32/cmd.exe exited; CPU time 1066.843750
23:56:28 (4816): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 22151007 bytes.
Dumping objects ->
{3835289} normal block at 0x000001FB9BCEF4E0, 48 bytes long.
 Data: <PATH=G:\PROGRAM1> 50 41 54 48 3D 47 3A 5C 50 52 4F 47 52 41 4D 31 
{3835278} normal block at 0x000001FB9BCEEA60, 48 bytes long.
 Data: <HOME=G:\PROGRAM1> 48 4F 4D 45 3D 47 3A 5C 50 52 4F 47 52 41 4D 31 
{3835267} normal block at 0x000001FB99F17450, 48 bytes long.
 Data: <TMP=G:\PROGRAM1\> 54 4D 50 3D 47 3A 5C 50 52 4F 47 52 41 4D 31 5C 
{3835256} normal block at 0x000001FB99F173E0, 48 bytes long.
 Data: <TEMP=G:\PROGRAM1> 54 45 4D 50 3D 47 3A 5C 50 52 4F 47 52 41 4D 31 
{3835245} normal block at 0x000001FB99F17370, 48 bytes long.
 Data: <TMPDIR=G:\PROGRA> 54 4D 50 44 49 52 3D 47 3A 5C 50 52 4F 47 52 41 
{3835214} normal block at 0x000001FB9BD3B830, 64 bytes long.
 Data: <PATH=G:\PROGRAM1> 50 41 54 48 3D 47 3A 5C 50 52 4F 47 52 41 4D 31 
{3835203} normal block at 0x000001FB9BD507E0, 102 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) : {3835200} normal block at 0x000001FB99F0DEF0, 8 bytes long.
 Data: <  &#234; &#251;   > 00 00 EA 99 FB 01 00 00 
{3834573} normal block at 0x000001FB9BD51180, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x000001FB99F0DAE0, 8 bytes long.
 Data: <&#160;k&#217;&#155;&#251;   > A0 6B D9 9B FB 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001FB99F111A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001FB99F06E50, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x000001FB99F17740, 16 bytes long.
 Data: <H &#241; &#251;           > 48 88 F1 99 FB 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001FB99F183C0, 16 bytes long.
 Data: <  &#241; &#251;           > 20 88 F1 99 FB 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001FB99F0F930, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x000001FB99F17E70, 16 bytes long.
 Data: <&#248;&#135;&#241; &#251;           > F8 87 F1 99 FB 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001FB99F18320, 16 bytes long.
 Data: <&#208;&#135;&#241; &#251;           > D0 87 F1 99 FB 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001FB99F182D0, 16 bytes long.
 Data: <&#168;&#135;&#241; &#251;           > A8 87 F1 99 FB 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001FB99F17970, 16 bytes long.
 Data: < &#135;&#241; &#251;           > 80 87 F1 99 FB 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001FB99F16F10, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x000001FB99F18230, 16 bytes long.
 Data: <X&#240;&#239; &#251;           > 58 F0 EF 99 FB 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001FB99F0FA50, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x000001FB99F17B00, 16 bytes long.
 Data: <0&#240;&#239; &#251;           > 30 F0 EF 99 FB 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001FB99F18280, 16 bytes long.
 Data: < &#240;&#239; &#251;           > 08 F0 EF 99 FB 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001FB99F176F0, 16 bytes long.
 Data: <&#224;&#239;&#239; &#251;           > E0 EF EF 99 FB 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001FB99F180F0, 16 bytes long.
 Data: <&#184;&#239;&#239; &#251;           > B8 EF EF 99 FB 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001FB99F181E0, 16 bytes long.
 Data: < &#239;&#239; &#251;           > 90 EF EF 99 FB 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001FB99F17A10, 16 bytes long.
 Data: <h&#239;&#239; &#251;           > 68 EF EF 99 FB 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001FB99F0F9F0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x000001FB99F17AB0, 16 bytes long.
 Data: <@&#239;&#239; &#251;           > 40 EF EF 99 FB 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001FB99EFEF40, 320 bytes long.
 Data: <&#176;z&#241; &#251;   &#240;&#249;&#240; &#251;   > B0 7A F1 99 FB 01 00 00 F0 F9 F0 99 FB 01 00 00 
{278} normal block at 0x000001FB99F17D80, 16 bytes long.
 Data: <`&#135;&#241; &#251;           > 60 87 F1 99 FB 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001FB99F17BA0, 16 bytes long.
 Data: <8&#135;&#241; &#251;           > 38 87 F1 99 FB 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001FB99F0F810, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x000001FB99F176A0, 16 bytes long.
 Data: < &#135;&#241; &#251;           > 10 87 F1 99 FB 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001FB99F0F510, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x000001FB99F18190, 16 bytes long.
 Data: <X&#134;&#241; &#251;           > 58 86 F1 99 FB 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001FB99F17600, 16 bytes long.
 Data: <0&#134;&#241; &#251;           > 30 86 F1 99 FB 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001FB99F17C40, 16 bytes long.
 Data: < &#134;&#241; &#251;           > 08 86 F1 99 FB 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001FB99F17A60, 16 bytes long.
 Data: <&#224;&#133;&#241; &#251;           > E0 85 F1 99 FB 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001FB99F17D30, 16 bytes long.
 Data: <&#184;&#133;&#241; &#251;           > B8 85 F1 99 FB 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001FB99F17650, 16 bytes long.
 Data: < &#133;&#241; &#251;           > 90 85 F1 99 FB 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001FB99F17560, 16 bytes long.
 Data: <@q&#241; &#251;           > 40 71 F1 99 FB 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001FB99F17140, 40 bytes long.
 Data: <`u&#241; &#251;   0&#184;&#211;&#155;&#251;   > 60 75 F1 99 FB 01 00 00 30 B8 D3 9B FB 01 00 00 
{264} normal block at 0x000001FB99F180A0, 16 bytes long.
 Data: <p&#133;&#241; &#251;           > 70 85 F1 99 FB 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001FB99F18410, 16 bytes long.
 Data: <H&#133;&#241; &#251;           > 48 85 F1 99 FB 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001FB99F0FB10, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x000001FB99F17B50, 16 bytes long.
 Data: < &#133;&#241; &#251;           > 20 85 F1 99 FB 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001FB99F18520, 992 bytes long.
 Data: <P{&#241; &#251;    &#251;&#240; &#251;   > 50 7B F1 99 FB 01 00 00 10 FB F0 99 FB 01 00 00 
{96} normal block at 0x000001FB99F0F270, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x000001FB99F0D6D0, 16 bytes long.
 Data: <P&#214;&#239; &#251;           > 50 D6 EF 99 FB 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000001FB99EFD650, 40 bytes long.
 Data: <&#208;&#214;&#240; &#251;   p&#242;&#240; &#251;   > D0 D6 F0 99 FB 01 00 00 70 F2 F0 99 FB 01 00 00 
{73} normal block at 0x000001FB99F0D630, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 04 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001FB99F0E260, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 04 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001FB99F0D950, 16 bytes long.
 Data: <&#248;W  &#247;           > F8 57 01 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001FB99F0D7C0, 16 bytes long.
 Data: <&#216;W  &#247;           > D8 57 01 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001FB99F0D8B0, 16 bytes long.
 Data: <P   &#247;           > 50 04 01 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001FB99F0DA90, 16 bytes long.
 Data: <0   &#247;           > 30 04 01 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001FB99F0D540, 16 bytes long.
 Data: <&#224;   &#247;           > E0 02 01 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001FB99F0D810, 16 bytes long.
 Data: <    &#247;           > 10 04 01 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001FB99F0D9F0, 16 bytes long.
 Data: <p   &#247;           > 70 04 01 1D F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001FB99F0E300, 16 bytes long.
 Data: < &#192;&#255; &#247;           > 18 C0 FF 1C F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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