Task 38687173

Name test_136-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND5696_0
Workunit 31628571
Created 28 Oct 2026, 6:22:58 UTC
Sent 28 Oct 2026, 6:23:01 UTC
Report deadline 2 Nov 2026, 6:23:01 UTC
Received 28 Oct 2026, 8:21:37 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 610900
Run time 58 min 11 sec
CPU time 51 min 44 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 7,990.82 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 735.15 MB
Peak swap size 9.91 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>7.24.1</core_client_version>
<![CDATA[
<stderr_txt>
03:23:18 (5116): wrapper (7.9.26016): starting
03:23:18 (5116): 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
03:23:19 (5116): Library/usr/bin/tar.exe exited; CPU time 0.015625
03:23:19 (5116): 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
04:21:02 (5116): C:/Windows/system32/cmd.exe exited; CPU time 3104.375000
04:21:02 (5116): 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: 82812269 bytes.
Dumping objects ->
{3835500} normal block at 0x0000020B6F3B45D0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835489} normal block at 0x0000020B6F3B4480, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835478} normal block at 0x0000020B6F3B4170, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835467} normal block at 0x0000020B6F3B44F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835456} normal block at 0x0000020B6F3B4870, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835425} normal block at 0x0000020B71169800, 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) : {3835412} normal block at 0x0000020B6F3AEEB0, 8 bytes long.
 Data: <  &#133;o    > 00 00 85 6F 0B 02 00 00 
{3833959} normal block at 0x0000020B6F3AE550, 8 bytes long.
 Data: <`;;o    > 60 3B 3B 6F 0B 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000020B6F3B1010, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000020B6F39ECD0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x0000020B6F3B5880, 16 bytes long.
 Data: <Hc;o            > 48 63 3B 6F 0B 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000020B6F3B5E20, 16 bytes long.
 Data: < c;o            > 20 63 3B 6F 0B 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000020B6F3B0140, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x0000020B6F3B5920, 16 bytes long.
 Data: <&#248;b;o            > F8 62 3B 6F 0B 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020B6F3B53D0, 16 bytes long.
 Data: <&#208;b;o            > D0 62 3B 6F 0B 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020B6F3B5060, 16 bytes long.
 Data: <&#168;b;o            > A8 62 3B 6F 0B 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020B6F3B50B0, 16 bytes long.
 Data: < b;o            > 80 62 3B 6F 0B 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020B6F3B4720, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x0000020B6F3B5C90, 16 bytes long.
 Data: <&#232;&#180;9o            > E8 B4 39 6F 0B 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020B6F3B0080, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x0000020B6F3B5B50, 16 bytes long.
 Data: <&#192;&#180;9o            > C0 B4 39 6F 0B 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020B6F3B5740, 16 bytes long.
 Data: < &#180;9o            > 98 B4 39 6F 0B 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020B6F3B5650, 16 bytes long.
 Data: <p&#180;9o            > 70 B4 39 6F 0B 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000020B6F3B5C40, 16 bytes long.
 Data: <H&#180;9o            > 48 B4 39 6F 0B 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020B6F3B5330, 16 bytes long.
 Data: < &#180;9o            > 20 B4 39 6F 0B 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020B6F3B5380, 16 bytes long.
 Data: <&#248;&#179;9o            > F8 B3 39 6F 0B 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020B6F3AFEA0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x0000020B6F3B55B0, 16 bytes long.
 Data: <&#208;&#179;9o            > D0 B3 39 6F 0B 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020B6F39B3D0, 320 bytes long.
 Data: <&#176;U;o    &#160;&#254;:o    > B0 55 3B 6F 0B 02 00 00 A0 FE 3A 6F 0B 02 00 00 
{275} normal block at 0x0000020B6F3B5970, 16 bytes long.
 Data: <`b;o            > 60 62 3B 6F 0B 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020B6F3B5790, 16 bytes long.
 Data: <8b;o            > 38 62 3B 6F 0B 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020B6F3AF9C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x0000020B6F3B5BF0, 16 bytes long.
 Data: < b;o            > 10 62 3B 6F 0B 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000020B6F3AFF00, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x0000020B6F3B5B00, 16 bytes long.
 Data: <Xa;o            > 58 61 3B 6F 0B 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020B6F3B5240, 16 bytes long.
 Data: <0a;o            > 30 61 3B 6F 0B 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020B6F3B5290, 16 bytes long.
 Data: < a;o            > 08 61 3B 6F 0B 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020B6F3B57E0, 16 bytes long.
 Data: <&#224;`;o            > E0 60 3B 6F 0B 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020B6F3B52E0, 16 bytes long.
 Data: <&#184;`;o            > B8 60 3B 6F 0B 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020B6F3B5600, 16 bytes long.
 Data: < `;o            > 90 60 3B 6F 0B 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020B6F3B5560, 16 bytes long.
 Data: <&#176;F;o            > B0 46 3B 6F 0B 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020B6F3B46B0, 40 bytes long.
 Data: <`U;o       q    > 60 55 3B 6F 0B 02 00 00 00 98 16 71 0B 02 00 00 
{261} normal block at 0x0000020B6F3B5D80, 16 bytes long.
 Data: <p`;o            > 70 60 3B 6F 0B 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020B6F3B5F10, 16 bytes long.
 Data: <H`;o            > 48 60 3B 6F 0B 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000020B6F3B0020, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x0000020B6F3B5D30, 16 bytes long.
 Data: < `;o            > 20 60 3B 6F 0B 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000020B6F3B6020, 992 bytes long.
 Data: <0];o      ;o    > 30 5D 3B 6F 0B 02 00 00 20 00 3B 6F 0B 02 00 00 
{93} normal block at 0x0000020B6F3AFF60, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x0000020B6F3AECD0, 16 bytes long.
 Data: < &#254;9o            > 20 FE 39 6F 0B 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000020B6F39FE20, 40 bytes long.
 Data: <&#208;&#236;:o    `&#255;:o    > D0 EC 3A 6F 0B 02 00 00 60 FF 3A 6F 0B 02 00 00 
{70} normal block at 0x0000020B6F3AE460, 16 bytes long.
 Data: < &#234;&#203;e&#247;           > 80 EA CB 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000020B6F3AE410, 16 bytes long.
 Data: <@&#233;&#203;e&#247;           > 40 E9 CB 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000020B6F3AE820, 16 bytes long.
 Data: <&#248;W&#200;e&#247;           > F8 57 C8 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000020B6F3AE3C0, 16 bytes long.
 Data: <&#216;W&#200;e&#247;           > D8 57 C8 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020B6F3AEC30, 16 bytes long.
 Data: <P &#200;e&#247;           > 50 04 C8 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020B6F3AE370, 16 bytes long.
 Data: <0 &#200;e&#247;           > 30 04 C8 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020B6F3AEFA0, 16 bytes long.
 Data: <&#224; &#200;e&#247;           > E0 02 C8 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020B6F3AEBE0, 16 bytes long.
 Data: <  &#200;e&#247;           > 10 04 C8 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020B6F3AEAF0, 16 bytes long.
 Data: <p &#200;e&#247;           > 70 04 C8 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000020B6F3AEE60, 16 bytes long.
 Data: < &#192;&#198;e&#247;           > 18 C0 C6 65 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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