Task 38684180

Name test_390-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND4595_0
Workunit 31625701
Created 27 Oct 2026, 15:04:57 UTC
Sent 27 Oct 2026, 15:05:12 UTC
Report deadline 1 Nov 2026, 15:05:12 UTC
Received 27 Oct 2026, 22:02:58 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651947
Run time 1 hours 47 min 50 sec
CPU time 1 hours 42 min 29 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,238.46 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 652.43 MB
Peak swap size 6.72 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:17:17 (15660): wrapper (7.9.26016): starting
16:17:17 (15660): 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
16:17:19 (15660): Library/usr/bin/tar.exe exited; CPU time 0.015625
16:17:19 (15660): 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: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
18:02:21 (15660): C:/Windows/system32/cmd.exe exited; CPU time 6149.718750
18:02:21 (15660): 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: 78016451 bytes.
Dumping objects ->
{3835209} normal block at 0x000002848D088E80, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835198} normal block at 0x000002848D088B00, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835187} normal block at 0x000002848D088B70, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835176} normal block at 0x000002848D088BE0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835165} normal block at 0x000002848D088A90, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835134} normal block at 0x000002848ED0E540, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835123} normal block at 0x000002848ED70790, 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) : {3835120} normal block at 0x000002848D056AB0, 8 bytes long.
 Data: <    &#132;   > 00 00 01 8D 84 02 00 00 
{3834523} normal block at 0x000002848ED70210, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833945} normal block at 0x000002848D0561F0, 8 bytes long.
 Data: < &#151;&#218;&#142;&#132;   > 90 97 DA 8E 84 02 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000002848D064450, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002848D045C20, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x000002848D0658F0, 16 bytes long.
 Data: <He  &#132;           > 48 65 06 8D 84 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002848D065E90, 16 bytes long.
 Data: < e  &#132;           > 20 65 06 8D 84 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002848D05C5E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x000002848D0658A0, 16 bytes long.
 Data: <&#248;d  &#132;           > F8 64 06 8D 84 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002848D0656C0, 16 bytes long.
 Data: <&#208;d  &#132;           > D0 64 06 8D 84 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002848D065B70, 16 bytes long.
 Data: <&#168;d  &#132;           > A8 64 06 8D 84 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002848D0653A0, 16 bytes long.
 Data: < d  &#132;           > 80 64 06 8D 84 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002848D05ABB0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x000002848D065A80, 16 bytes long.
 Data: < &#188;  &#132;           > 98 BC 05 8D 84 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002848D05C580, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x000002848D065D50, 16 bytes long.
 Data: <p&#188;  &#132;           > 70 BC 05 8D 84 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002848D065580, 16 bytes long.
 Data: <H&#188;  &#132;           > 48 BC 05 8D 84 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002848D065350, 16 bytes long.
 Data: < &#188;  &#132;           > 20 BC 05 8D 84 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002848D065C10, 16 bytes long.
 Data: <&#248;&#187;  &#132;           > F8 BB 05 8D 84 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002848D065D00, 16 bytes long.
 Data: <&#208;&#187;  &#132;           > D0 BB 05 8D 84 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002848D065DA0, 16 bytes long.
 Data: <&#168;&#187;  &#132;           > A8 BB 05 8D 84 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002848D05BE60, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x000002848D065A30, 16 bytes long.
 Data: < &#187;  &#132;           > 80 BB 05 8D 84 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002848D05BB80, 320 bytes long.
 Data: <0Z  &#132;   `&#190;  &#132;   > 30 5A 06 8D 84 02 00 00 60 BE 05 8D 84 02 00 00 
{268} normal block at 0x000002848D065CB0, 16 bytes long.
 Data: <`d  &#132;           > 60 64 06 8D 84 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002848D065300, 16 bytes long.
 Data: <8d  &#132;           > 38 64 06 8D 84 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002848D05C340, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x000002848D0655D0, 16 bytes long.
 Data: < d  &#132;           > 10 64 06 8D 84 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002848D05CB20, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x000002848D065440, 16 bytes long.
 Data: <Xc  &#132;           > 58 63 06 8D 84 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002848D065800, 16 bytes long.
 Data: <0c  &#132;           > 30 63 06 8D 84 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002848D065C60, 16 bytes long.
 Data: < c  &#132;           > 08 63 06 8D 84 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002848D065530, 16 bytes long.
 Data: <&#224;b  &#132;           > E0 62 06 8D 84 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002848D065F30, 16 bytes long.
 Data: <&#184;b  &#132;           > B8 62 06 8D 84 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002848D065260, 16 bytes long.
 Data: < b  &#132;           > 90 62 06 8D 84 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002848D0652B0, 16 bytes long.
 Data: <&#208;&#170;  &#132;           > D0 AA 05 8D 84 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002848D05AAD0, 40 bytes long.
 Data: <&#176;R  &#132;   @&#229;&#208;&#142;&#132;   > B0 52 06 8D 84 02 00 00 40 E5 D0 8E 84 02 00 00 
{254} normal block at 0x000002848D065850, 16 bytes long.
 Data: <pb  &#132;           > 70 62 06 8D 84 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000002848D065E40, 16 bytes long.
 Data: <Hb  &#132;           > 48 62 06 8D 84 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000002848D05C040, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x000002848D065670, 16 bytes long.
 Data: < b  &#132;           > 20 62 06 8D 84 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000002848D066220, 992 bytes long.
 Data: <pV  &#132;   @&#192;  &#132;   > 70 56 06 8D 84 02 00 00 40 C0 05 8D 84 02 00 00 
{86} normal block at 0x000002848D05CAC0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x000002848D056880, 16 bytes long.
 Data: <&#160;&#175;  &#132;           > A0 AF 05 8D 84 02 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000002848D05AFA0, 40 bytes long.
 Data: < h  &#132;   &#192;&#202;  &#132;   > 80 68 05 8D 84 02 00 00 C0 CA 05 8D 84 02 00 00 
{63} normal block at 0x000002848D056A60, 16 bytes long.
 Data: < &#234;h&#188;&#246;           > 80 EA 68 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002848D056BA0, 16 bytes long.
 Data: <@&#233;h&#188;&#246;           > 40 E9 68 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002848D056A10, 16 bytes long.
 Data: <&#248;We&#188;&#246;           > F8 57 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002848D055E30, 16 bytes long.
 Data: <&#216;We&#188;&#246;           > D8 57 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002848D0569C0, 16 bytes long.
 Data: <P e&#188;&#246;           > 50 04 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002848D0568D0, 16 bytes long.
 Data: <0 e&#188;&#246;           > 30 04 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002848D0562E0, 16 bytes long.
 Data: <&#224; e&#188;&#246;           > E0 02 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002848D056290, 16 bytes long.
 Data: <  e&#188;&#246;           > 10 04 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000002848D0567E0, 16 bytes long.
 Data: <p e&#188;&#246;           > 70 04 65 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000002848D056240, 16 bytes long.
 Data: < &#192;c&#188;&#246;           > 18 C0 63 BC F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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