Task 38697087

Name test_259-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND0641_1
Workunit 31624338
Created 1 Nov 2026, 8:55:09 UTC
Sent 1 Nov 2026, 8:55:16 UTC
Report deadline 6 Nov 2026, 8:55:16 UTC
Received 1 Nov 2026, 9:56:58 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 643200
Run time 32 min 20 sec
CPU time 30 min 20 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,615.78 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 762.59 MB
Peak swap size 8.41 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
10:24:53 (13012): wrapper (7.9.26016): starting
10:24:53 (13012): 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
10:24:54 (13012): Library/usr/bin/tar.exe exited; CPU time 0.015625
10:24:54 (13012): 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: Exiting with failure status due to previous errors
10:56:19 (13012): C:/Windows/system32/cmd.exe exited; CPU time 1820.390625
10:56:19 (13012): 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: 36822351 bytes.
Dumping objects ->
{3835504} normal block at 0x000001E05AF45190, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835493} normal block at 0x000001E05AF44FD0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835482} normal block at 0x000001E05AF450B0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835471} normal block at 0x000001E05AF45270, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835460} normal block at 0x000001E05AF44DA0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835429} normal block at 0x000001E05CCFA030, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835418} normal block at 0x000001E05CD0F630, 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) : {3835415} normal block at 0x000001E05AF3E570, 8 bytes long.
 Data: <  X[&#224;   > 00 00 58 5B E0 01 00 00 
{3834674} normal block at 0x000001E05CD0F420, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833955} normal block at 0x000001E05AF3DE90, 8 bytes long.
 Data: < S&#213;\&#224;   > 10 53 D5 5C E0 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001E05AF41BB0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001E05AF370B0, 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 0x000001E05AF467B0, 16 bytes long.
 Data: < o&#244;Z&#224;           > 08 6F F4 5A E0 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001E05AF45CC0, 16 bytes long.
 Data: <&#224;n&#244;Z&#224;           > E0 6E F4 5A E0 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001E05AF3F420, 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 0x000001E05AF45FE0, 16 bytes long.
 Data: <&#184;n&#244;Z&#224;           > B8 6E F4 5A E0 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001E05AF46260, 16 bytes long.
 Data: < n&#244;Z&#224;           > 90 6E F4 5A E0 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001E05AF46490, 16 bytes long.
 Data: <hn&#244;Z&#224;           > 68 6E F4 5A E0 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001E05AF46120, 16 bytes long.
 Data: <@n&#244;Z&#224;           > 40 6E F4 5A E0 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001E05AF44EF0, 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 0x000001E05AF45C20, 16 bytes long.
 Data: <&#168;&#184;&#242;Z&#224;           > A8 B8 F2 5A E0 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001E05AF3FD80, 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 0x000001E05AF45C70, 16 bytes long.
 Data: < &#184;&#242;Z&#224;           > 80 B8 F2 5A E0 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001E05AF46B20, 16 bytes long.
 Data: <X&#184;&#242;Z&#224;           > 58 B8 F2 5A E0 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001E05AF46440, 16 bytes long.
 Data: <0&#184;&#242;Z&#224;           > 30 B8 F2 5A E0 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001E05AF45F40, 16 bytes long.
 Data: < &#184;&#242;Z&#224;           > 08 B8 F2 5A E0 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001E05AF46B70, 16 bytes long.
 Data: <&#224;&#183;&#242;Z&#224;           > E0 B7 F2 5A E0 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001E05AF463F0, 16 bytes long.
 Data: <&#184;&#183;&#242;Z&#224;           > B8 B7 F2 5A E0 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001E05AF3FD20, 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 0x000001E05AF45E00, 16 bytes long.
 Data: < &#183;&#242;Z&#224;           > 90 B7 F2 5A E0 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001E05AF2B790, 320 bytes long.
 Data: < ^&#244;Z&#224;    &#253;&#243;Z&#224;   > 00 5E F4 5A E0 01 00 00 20 FD F3 5A E0 01 00 00 
{273} normal block at 0x000001E05AF46760, 16 bytes long.
 Data: < n&#244;Z&#224;           > 20 6E F4 5A E0 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001E05AF46710, 16 bytes long.
 Data: <&#248;m&#244;Z&#224;           > F8 6D F4 5A E0 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001E05AF3FBA0, 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 0x000001E05AF46A80, 16 bytes long.
 Data: <&#208;m&#244;Z&#224;           > D0 6D F4 5A E0 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001E05AF3F5A0, 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 0x000001E05AF46580, 16 bytes long.
 Data: < m&#244;Z&#224;           > 18 6D F4 5A E0 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001E05AF468F0, 16 bytes long.
 Data: <&#240;l&#244;Z&#224;           > F0 6C F4 5A E0 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001E05AF466C0, 16 bytes long.
 Data: <&#200;l&#244;Z&#224;           > C8 6C F4 5A E0 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001E05AF46350, 16 bytes long.
 Data: <&#160;l&#244;Z&#224;           > A0 6C F4 5A E0 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001E05AF46AD0, 16 bytes long.
 Data: <xl&#244;Z&#224;           > 78 6C F4 5A E0 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001E05AF45DB0, 16 bytes long.
 Data: <Pl&#244;Z&#224;           > 50 6C F4 5A E0 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001E05AF46670, 16 bytes long.
 Data: < R&#244;Z&#224;           > 00 52 F4 5A E0 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001E05AF45200, 40 bytes long.
 Data: <pf&#244;Z&#224;   0&#160;&#207;\&#224;   > 70 66 F4 5A E0 01 00 00 30 A0 CF 5C E0 01 00 00 
{259} normal block at 0x000001E05AF46850, 16 bytes long.
 Data: <0l&#244;Z&#224;           > 30 6C F4 5A E0 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001E05AF46300, 16 bytes long.
 Data: < l&#244;Z&#224;           > 08 6C F4 5A E0 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001E05AF3FCC0, 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 0x000001E05AF463A0, 16 bytes long.
 Data: <&#224;k&#244;Z&#224;           > E0 6B F4 5A E0 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001E05AF46BE0, 992 bytes long.
 Data: <&#160;c&#244;Z&#224;   &#192;&#252;&#243;Z&#224;   > A0 63 F4 5A E0 01 00 00 C0 FC F3 5A E0 01 00 00 
{91} normal block at 0x000001E05AF3FC60, 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 0x000001E05AF3DAD0, 16 bytes long.
 Data: <&#240;&#201;&#242;Z&#224;           > F0 C9 F2 5A E0 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000001E05AF2C9F0, 40 bytes long.
 Data: <&#208;&#218;&#243;Z&#224;   `&#252;&#243;Z&#224;   > D0 DA F3 5A E0 01 00 00 60 FC F3 5A E0 01 00 00 
{68} normal block at 0x000001E05AF3E520, 16 bytes long.
 Data: < &#234;&#207;G&#247;           > 80 EA CF 47 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001E05AF3D990, 16 bytes long.
 Data: <@&#233;&#207;G&#247;           > 40 E9 CF 47 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001E05AF3E250, 16 bytes long.
 Data: <&#248;W&#204;G&#247;           > F8 57 CC 47 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001E05AF3E3E0, 16 bytes long.
 Data: <&#216;W&#204;G&#247;           > D8 57 CC 47 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001E05AF3DC10, 16 bytes long.
 Data: <P &#204;G&#247;           > 50 04 CC 47 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001E05AF3E0C0, 16 bytes long.
 Data: <0 &#204;G&#247;           > 30 04 CC 47 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001E05AF3E480, 16 bytes long.
 Data: <&#224; &#204;G&#247;           > E0 02 CC 47 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001E05AF3DD00, 16 bytes long.
 Data: <  &#204;G&#247;           > 10 04 CC 47 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001E05AF3E390, 16 bytes long.
 Data: <p &#204;G&#247;           > 70 04 CC 47 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001E05AF3D710, 16 bytes long.
 Data: < &#192;&#202;G&#247;           > 18 C0 CA 47 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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