Task 38667424

Name test_182-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND6584_0
Workunit 31610053
Created 25 Oct 2026, 7:50:26 UTC
Sent 25 Oct 2026, 7:50:47 UTC
Report deadline 30 Oct 2026, 7:50:47 UTC
Received 25 Oct 2026, 9:42:17 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652619
Run time 1 hours 34 min 22 sec
CPU time 1 hours 30 min 11 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,302.81 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 729.11 MB
Peak swap size 8.38 GB
Peak disk usage 3.49 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:08:41 (9384): wrapper (7.9.26016): starting
16:08:41 (9384): 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
16:08:44 (9384): Library/usr/bin/tar.exe exited; CPU time 0.015625
16:08:44 (9384): 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
17:41:24 (9384): C:/Windows/system32/cmd.exe exited; CPU time 5411.953125
17:41:24 (9384): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 88629187 bytes.
Dumping objects ->
{3835481} normal block at 0x0000017DC3235010, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835470} normal block at 0x0000017DC15D5F50, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835459} normal block at 0x0000017DC15D5E00, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835448} normal block at 0x0000017DC15D5A80, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835437} normal block at 0x0000017DC15D5D90, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835406} normal block at 0x0000017DC32DDF60, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835393} normal block at 0x0000017DC15D08F0, 8 bytes long.
 Data: <  &#158;&#193;}   > 00 00 9E C1 7D 01 00 00 
{3833953} normal block at 0x0000017DC15D1520, 8 bytes long.
 Data: < $;&#195;}   > 80 24 3B C3 7D 01 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000017DC15D2200, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000017DC15C7240, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x0000017DC15D7420, 16 bytes long.
 Data: <he]&#193;}           > 68 65 5D C1 7D 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000017DC15D6B10, 16 bytes long.
 Data: <@e]&#193;}           > 40 65 5D C1 7D 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000017DC15CF660, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x0000017DC15D6AC0, 16 bytes long.
 Data: < e]&#193;}           > 18 65 5D C1 7D 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000017DC15D67A0, 16 bytes long.
 Data: <&#240;d]&#193;}           > F0 64 5D C1 7D 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000017DC15D6980, 16 bytes long.
 Data: <&#200;d]&#193;}           > C8 64 5D C1 7D 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000017DC15D6DE0, 16 bytes long.
 Data: <&#160;d]&#193;}           > A0 64 5D C1 7D 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000017DC15D6110, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x0000017DC15D72E0, 16 bytes long.
 Data: <h&#180;[&#193;}           > 68 B4 5B C1 7D 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000017DC15D0500, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x0000017DC15D73D0, 16 bytes long.
 Data: <@&#180;[&#193;}           > 40 B4 5B C1 7D 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000017DC15D7560, 16 bytes long.
 Data: < &#180;[&#193;}           > 18 B4 5B C1 7D 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000017DC15D69D0, 16 bytes long.
 Data: <&#240;&#179;[&#193;}           > F0 B3 5B C1 7D 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000017DC15D7290, 16 bytes long.
 Data: <&#200;&#179;[&#193;}           > C8 B3 5B C1 7D 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000017DC15D6A70, 16 bytes long.
 Data: <&#160;&#179;[&#193;}           > A0 B3 5B C1 7D 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000017DC15D68E0, 16 bytes long.
 Data: <x&#179;[&#193;}           > 78 B3 5B C1 7D 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000017DC15CFCC0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x0000017DC15D7380, 16 bytes long.
 Data: <P&#179;[&#193;}           > 50 B3 5B C1 7D 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000017DC15BB350, 320 bytes long.
 Data: < s]&#193;}   &#192;&#252;\&#193;}   > 80 73 5D C1 7D 01 00 00 C0 FC 5C C1 7D 01 00 00 
{272} normal block at 0x0000017DC15D7100, 16 bytes long.
 Data: < d]&#193;}           > 80 64 5D C1 7D 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000017DC15D70B0, 16 bytes long.
 Data: <Xd]&#193;}           > 58 64 5D C1 7D 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000017DC15D02C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x0000017DC15D6750, 16 bytes long.
 Data: <0d]&#193;}           > 30 64 5D C1 7D 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000017DC15CFA80, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x0000017DC15D6D90, 16 bytes long.
 Data: <xc]&#193;}           > 78 63 5D C1 7D 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000017DC15D6700, 16 bytes long.
 Data: <Pc]&#193;}           > 50 63 5D C1 7D 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000017DC15D6E30, 16 bytes long.
 Data: <(c]&#193;}           > 28 63 5D C1 7D 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000017DC15D0C10, 16 bytes long.
 Data: < c]&#193;}           > 00 63 5D C1 7D 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000017DC15D0B70, 16 bytes long.
 Data: <&#216;b]&#193;}           > D8 62 5D C1 7D 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000017DC15D0940, 16 bytes long.
 Data: <&#176;b]&#193;}           > B0 62 5D C1 7D 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000017DC15D0E90, 16 bytes long.
 Data: <0`]&#193;}           > 30 60 5D C1 7D 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000017DC15D6030, 40 bytes long.
 Data: <  ]&#193;}   `&#223;-&#195;}   > 90 0E 5D C1 7D 01 00 00 60 DF 2D C3 7D 01 00 00 
{258} normal block at 0x0000017DC15D07B0, 16 bytes long.
 Data: < b]&#193;}           > 90 62 5D C1 7D 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000017DC15D0710, 16 bytes long.
 Data: <hb]&#193;}           > 68 62 5D C1 7D 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000017DC15D0140, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x0000017DC15D11B0, 16 bytes long.
 Data: <@b]&#193;}           > 40 62 5D C1 7D 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000017DC15D6240, 992 bytes long.
 Data: <&#176; ]&#193;}   @ ]&#193;}   > B0 11 5D C1 7D 01 00 00 40 01 5D C1 7D 01 00 00 
{90} normal block at 0x0000017DC15CFC00, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x0000017DC15D0D50, 16 bytes long.
 Data: <&#208;&#255;[&#193;}           > D0 FF 5B C1 7D 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x0000017DC15BFFD0, 40 bytes long.
 Data: <P ]&#193;}    &#252;\&#193;}   > 50 0D 5D C1 7D 01 00 00 00 FC 5C C1 7D 01 00 00 
{67} normal block at 0x0000017DC15D0F30, 16 bytes long.
 Data: < &#234;&#199;J&#246;           > 80 EA C7 4A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000017DC15D13E0, 16 bytes long.
 Data: <@&#233;&#199;J&#246;           > 40 E9 C7 4A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000017DC15D0800, 16 bytes long.
 Data: <&#248;W&#196;J&#246;           > F8 57 C4 4A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000017DC15D12A0, 16 bytes long.
 Data: <&#216;W&#196;J&#246;           > D8 57 C4 4A F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000017DC15D1070, 16 bytes long.
 Data: <P &#196;J&#246;           > 50 04 C4 4A F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000017DC15D0D00, 16 bytes long.
 Data: <0 &#196;J&#246;           > 30 04 C4 4A F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000017DC15D0E40, 16 bytes long.
 Data: <&#224; &#196;J&#246;           > E0 02 C4 4A F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000017DC15D09E0, 16 bytes long.
 Data: <  &#196;J&#246;           > 10 04 C4 4A F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000017DC15D1390, 16 bytes long.
 Data: <p &#196;J&#246;           > 70 04 C4 4A F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000017DC15D0760, 16 bytes long.
 Data: < &#192;&#194;J&#246;           > 18 C0 C2 4A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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