Task 38669261

Name test_110-GPUGRID_TEST_ATM_40STEP_20261023-18-40-RND7511_0
Workunit 31611631
Created 25 Oct 2026, 14:05:43 UTC
Sent 25 Oct 2026, 14:05:53 UTC
Report deadline 30 Oct 2026, 14:05:53 UTC
Received 25 Oct 2026, 14:31:21 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 590858
Run time 23 min 27 sec
CPU time 22 min 18 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 16,266.02 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 704.41 MB
Peak swap size 3.98 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>7.16.20</core_client_version>
<![CDATA[
<stderr_txt>
15:07:08 (23280): wrapper (7.9.26016): starting
15:07:08 (23280): 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
15:07:09 (23280): Library/usr/bin/tar.exe exited; CPU time 0.015625
15:07:09 (23280): 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
15:30:08 (23280): C:/Windows/system32/cmd.exe exited; CPU time 1338.828125
15:30:08 (23280): 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: 23872823 bytes.
Dumping objects ->
{3835503} normal block at 0x0000019086BC4620, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835492} normal block at 0x0000019086BC4150, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835481} normal block at 0x0000019086BC41C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835470} normal block at 0x0000019086BC3F90, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835459} normal block at 0x0000019084E35E70, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835428} normal block at 0x0000019086B3A010, 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) : {3835415} normal block at 0x0000019084E2DF50, 8 bytes long.
 Data: <  +&#133;    > 00 00 2B 85 90 01 00 00 
{3833963} normal block at 0x0000019084E2E130, 8 bytes long.
 Data: < &#234;&#164;&#134;    > 90 EA A4 86 90 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000019084E319A0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000019084E26A30, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x0000019084E36120, 16 bytes long.
 Data: <&#184;s&#227;&#132;            > B8 73 E3 84 90 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000019084E36B20, 16 bytes long.
 Data: < s&#227;&#132;            > 90 73 E3 84 90 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000019084E30790, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x0000019084E368F0, 16 bytes long.
 Data: <hs&#227;&#132;            > 68 73 E3 84 90 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000019084E36E40, 16 bytes long.
 Data: <@s&#227;&#132;            > 40 73 E3 84 90 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000019084E36850, 16 bytes long.
 Data: < s&#227;&#132;            > 18 73 E3 84 90 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000019084E36D50, 16 bytes long.
 Data: <&#240;r&#227;&#132;            > F0 72 E3 84 90 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000019084E35A10, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x0000019084E36440, 16 bytes long.
 Data: <X &#226;&#132;            > 58 98 E2 84 90 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000019084E30610, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x0000019084E36990, 16 bytes long.
 Data: <0 &#226;&#132;            > 30 98 E2 84 90 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000019084E36C10, 16 bytes long.
 Data: <  &#226;&#132;            > 08 98 E2 84 90 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000019084E36710, 16 bytes long.
 Data: <&#224;&#151;&#226;&#132;            > E0 97 E2 84 90 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000019084E36BC0, 16 bytes long.
 Data: <&#184;&#151;&#226;&#132;            > B8 97 E2 84 90 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000019084E368A0, 16 bytes long.
 Data: < &#151;&#226;&#132;            > 90 97 E2 84 90 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000019084E36AD0, 16 bytes long.
 Data: <h&#151;&#226;&#132;            > 68 97 E2 84 90 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000019084E306D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x0000019084E36A80, 16 bytes long.
 Data: <@&#151;&#226;&#132;            > 40 97 E2 84 90 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000019084E29740, 320 bytes long.
 Data: < j&#227;&#132;    &#208; &#227;&#132;    > 80 6A E3 84 90 01 00 00 D0 06 E3 84 90 01 00 00 
{277} normal block at 0x0000019084E363A0, 16 bytes long.
 Data: <&#208;r&#227;&#132;            > D0 72 E3 84 90 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000019084E36350, 16 bytes long.
 Data: <&#168;r&#227;&#132;            > A8 72 E3 84 90 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000019084E305B0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x0000019084E36D00, 16 bytes long.
 Data: < r&#227;&#132;            > 80 72 E3 84 90 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000019084E2FAD0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x0000019084E36170, 16 bytes long.
 Data: <&#200;q&#227;&#132;            > C8 71 E3 84 90 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000019084E36CB0, 16 bytes long.
 Data: <&#160;q&#227;&#132;            > A0 71 E3 84 90 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000019084E36530, 16 bytes long.
 Data: <xq&#227;&#132;            > 78 71 E3 84 90 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000019084E36800, 16 bytes long.
 Data: <Pq&#227;&#132;            > 50 71 E3 84 90 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000019084E36E90, 16 bytes long.
 Data: <(q&#227;&#132;            > 28 71 E3 84 90 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000019084E36760, 16 bytes long.
 Data: < q&#227;&#132;            > 00 71 E3 84 90 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000019084E366C0, 16 bytes long.
 Data: <&#224;^&#227;&#132;            > E0 5E E3 84 90 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000019084E35EE0, 40 bytes long.
 Data: <&#192;f&#227;&#132;     &#160;&#179;&#134;    > C0 66 E3 84 90 01 00 00 10 A0 B3 86 90 01 00 00 
{263} normal block at 0x0000019084E36C60, 16 bytes long.
 Data: <&#224;p&#227;&#132;            > E0 70 E3 84 90 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000019084E363F0, 16 bytes long.
 Data: <&#184;p&#227;&#132;            > B8 70 E3 84 90 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000019084E30490, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x0000019084E36300, 16 bytes long.
 Data: < p&#227;&#132;            > 90 70 E3 84 90 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000019084E37090, 992 bytes long.
 Data: < c&#227;&#132;      &#227;&#132;    > 00 63 E3 84 90 01 00 00 90 04 E3 84 90 01 00 00 
{95} normal block at 0x0000019084E2FA70, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x0000019084E2E6D0, 16 bytes long.
 Data: < ]&#227;&#132;            > 20 5D E3 84 90 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000019084E35D20, 40 bytes long.
 Data: <&#208;&#230;&#226;&#132;    p&#250;&#226;&#132;    > D0 E6 E2 84 90 01 00 00 70 FA E2 84 90 01 00 00 
{72} normal block at 0x0000019084E2E040, 16 bytes long.
 Data: < &#234;4&#215;&#247;           > 80 EA 34 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000019084E2D9B0, 16 bytes long.
 Data: <@&#233;4&#215;&#247;           > 40 E9 34 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000019084E2E900, 16 bytes long.
 Data: <&#248;W1&#215;&#247;           > F8 57 31 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000019084E2E810, 16 bytes long.
 Data: <&#216;W1&#215;&#247;           > D8 57 31 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000019084E2DC80, 16 bytes long.
 Data: <P 1&#215;&#247;           > 50 04 31 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000019084E2E400, 16 bytes long.
 Data: <0 1&#215;&#247;           > 30 04 31 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000019084E2DBE0, 16 bytes long.
 Data: <&#224; 1&#215;&#247;           > E0 02 31 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000019084E2DB90, 16 bytes long.
 Data: <  1&#215;&#247;           > 10 04 31 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000019084E2DF00, 16 bytes long.
 Data: <p 1&#215;&#247;           > 70 04 31 D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000019084E2E2C0, 16 bytes long.
 Data: < &#192;/&#215;&#247;           > 18 C0 2F D7 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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