Task 38683290

Name test_412-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND2255_1
Workunit 31624821
Created 27 Oct 2026, 11:15:51 UTC
Sent 27 Oct 2026, 11:16:01 UTC
Report deadline 1 Nov 2026, 11:16:01 UTC
Received 27 Oct 2026, 11:47:22 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 626568
Run time 23 min 5 sec
CPU time 22 min 25 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 82,578.99 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 745.64 MB
Peak swap size 13.16 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
12:24:41 (15672): wrapper (7.9.26016): starting
12:24:41 (15672): 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
12:24:43 (15672): Library/usr/bin/tar.exe exited; CPU time 0.000000
12:24:43 (15672): 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
12:47:06 (15672): C:/Windows/system32/cmd.exe exited; CPU time 1345.718750
12:47:06 (15672): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 22952369 bytes.
Dumping objects ->
{3835329} normal block at 0x00000287CA4D4A00, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835318} normal block at 0x00000287CA4D43E0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835307} normal block at 0x00000287CA4D47D0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835296} normal block at 0x00000287CA4D4C30, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835285} normal block at 0x00000287CA4D4ED0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835254} normal block at 0x00000287CA3FDCB0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835243} normal block at 0x00000287C871DEB0, 140 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) : {3835240} normal block at 0x00000287C86BE8F0, 8 bytes long.
 Data: <  &#185;&#200;&#135;   > 00 00 B9 C8 87 02 00 00 
{3834594} normal block at 0x00000287C871DC40, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833967} normal block at 0x00000287C86BEBC0, 8 bytes long.
 Data: <p&#231;-&#202;&#135;   > 70 E7 2D CA 87 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x00000287C86C2560, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x00000287C86B7850, 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 0x00000287C86C6CC0, 16 bytes long.
 Data: <Hvl&#200;&#135;           > 48 76 6C C8 87 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000287C86C6680, 16 bytes long.
 Data: < vl&#200;&#135;           > 20 76 6C C8 87 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000287C86BFAF0, 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 0x00000287C86C6EA0, 16 bytes long.
 Data: <&#248;ul&#200;&#135;           > F8 75 6C C8 87 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000287C86C68B0, 16 bytes long.
 Data: <&#208;ul&#200;&#135;           > D0 75 6C C8 87 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000287C86C6C20, 16 bytes long.
 Data: <&#168;ul&#200;&#135;           > A8 75 6C C8 87 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000287C86C6630, 16 bytes long.
 Data: < ul&#200;&#135;           > 80 75 6C C8 87 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000287C86C4B20, 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 0x00000287C86C6BD0, 16 bytes long.
 Data: < &#182;j&#200;&#135;           > 88 B6 6A C8 87 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000287C86C0510, 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 0x00000287C86C6E50, 16 bytes long.
 Data: <`&#182;j&#200;&#135;           > 60 B6 6A C8 87 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000287C86C6B30, 16 bytes long.
 Data: <8&#182;j&#200;&#135;           > 38 B6 6A C8 87 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000287C86C6E00, 16 bytes long.
 Data: < &#182;j&#200;&#135;           > 10 B6 6A C8 87 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000287C86C65E0, 16 bytes long.
 Data: <&#232;&#181;j&#200;&#135;           > E8 B5 6A C8 87 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000287C86C7170, 16 bytes long.
 Data: <&#192;&#181;j&#200;&#135;           > C0 B5 6A C8 87 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000287C86C6AE0, 16 bytes long.
 Data: < &#181;j&#200;&#135;           > 98 B5 6A C8 87 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000287C86BFFD0, 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 0x00000287C86C6A40, 16 bytes long.
 Data: <p&#181;j&#200;&#135;           > 70 B5 6A C8 87 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000287C86AB570, 320 bytes long.
 Data: <@jl&#200;&#135;   &#208;&#255;k&#200;&#135;   > 40 6A 6C C8 87 02 00 00 D0 FF 6B C8 87 02 00 00 
{279} normal block at 0x00000287C86C6590, 16 bytes long.
 Data: <`ul&#200;&#135;           > 60 75 6C C8 87 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000287C86C64F0, 16 bytes long.
 Data: <8ul&#200;&#135;           > 38 75 6C C8 87 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000287C86C0630, 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 0x00000287C86C6400, 16 bytes long.
 Data: < ul&#200;&#135;           > 10 75 6C C8 87 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000287C86C04B0, 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 0x00000287C86C6B80, 16 bytes long.
 Data: <Xtl&#200;&#135;           > 58 74 6C C8 87 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000287C86C6EF0, 16 bytes long.
 Data: <0tl&#200;&#135;           > 30 74 6C C8 87 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000287C86C64A0, 16 bytes long.
 Data: < tl&#200;&#135;           > 08 74 6C C8 87 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000287C86C6C70, 16 bytes long.
 Data: <&#224;sl&#200;&#135;           > E0 73 6C C8 87 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000287C86C66D0, 16 bytes long.
 Data: <&#184;sl&#200;&#135;           > B8 73 6C C8 87 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000287C86C6A90, 16 bytes long.
 Data: < sl&#200;&#135;           > 90 73 6C C8 87 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000287C86C6540, 16 bytes long.
 Data: <&#224;Ll&#200;&#135;           > E0 4C 6C C8 87 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000287C86C4CE0, 40 bytes long.
 Data: <@el&#200;&#135;   &#176;&#220;?&#202;&#135;   > 40 65 6C C8 87 02 00 00 B0 DC 3F CA 87 02 00 00 
{265} normal block at 0x00000287C86C6450, 16 bytes long.
 Data: <psl&#200;&#135;           > 70 73 6C C8 87 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000287C86C7120, 16 bytes long.
 Data: <Hsl&#200;&#135;           > 48 73 6C C8 87 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000287C86C0450, 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 0x00000287C86C63B0, 16 bytes long.
 Data: < sl&#200;&#135;           > 20 73 6C C8 87 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000287C86C7320, 992 bytes long.
 Data: <&#176;cl&#200;&#135;   P l&#200;&#135;   > B0 63 6C C8 87 02 00 00 50 04 6C C8 87 02 00 00 
{97} normal block at 0x00000287C86C0150, 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 0x00000287C86BE0D0, 16 bytes long.
 Data: <`Pl&#200;&#135;           > 60 50 6C C8 87 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x00000287C86C5060, 40 bytes long.
 Data: <&#208;&#224;k&#200;&#135;   P l&#200;&#135;   > D0 E0 6B C8 87 02 00 00 50 01 6C C8 87 02 00 00 
{74} normal block at 0x00000287C86BEB20, 16 bytes long.
 Data: < &#234;&#196;~&#247;           > 80 EA C4 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x00000287C86BE5D0, 16 bytes long.
 Data: <@&#233;&#196;~&#247;           > 40 E9 C4 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x00000287C86BE2B0, 16 bytes long.
 Data: <&#248;W&#193;~&#247;           > F8 57 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000287C86BEE40, 16 bytes long.
 Data: <&#216;W&#193;~&#247;           > D8 57 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000287C86BE580, 16 bytes long.
 Data: <P &#193;~&#247;           > 50 04 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000287C86BECB0, 16 bytes long.
 Data: <0 &#193;~&#247;           > 30 04 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000287C86BEA30, 16 bytes long.
 Data: <&#224; &#193;~&#247;           > E0 02 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000287C86BEC10, 16 bytes long.
 Data: <  &#193;~&#247;           > 10 04 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000287C86BE6C0, 16 bytes long.
 Data: <p &#193;~&#247;           > 70 04 C1 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000287C86BED00, 16 bytes long.
 Data: < &#192;&#191;~&#247;           > 18 C0 BF 7E F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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