Task 38677715

Name test_137-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND1398_0
Workunit 31619574
Created 26 Oct 2026, 15:11:10 UTC
Sent 26 Oct 2026, 15:11:11 UTC
Report deadline 31 Oct 2026, 15:11:11 UTC
Received 26 Oct 2026, 16:38:33 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654854
Run time 33 min 3 sec
CPU time 32 min 30 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,741.16 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 748.04 MB
Peak swap size 12.91 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:05:41 (2564): wrapper (7.9.26016): starting
11:05:41 (2564): 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
11:05:42 (2564): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:05:42 (2564): 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
11:38:15 (2564): C:/Windows/system32/cmd.exe exited; CPU time 1950.250000
11:38:15 (2564): 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: 29928315 bytes.
Dumping objects ->
{3835546} normal block at 0x000002ACC96DF740, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835535} normal block at 0x000002ACC7916DE0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835524} normal block at 0x000002ACC7917080, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835513} normal block at 0x000002ACC79170F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835502} normal block at 0x000002ACC79171D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835471} normal block at 0x000002ACC972BB10, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835460} normal block at 0x000002ACC9740C10, 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) : {3835457} normal block at 0x000002ACC7910E70, 8 bytes long.
 Data: <  &#231;&#199;&#172;   > 00 00 E7 C7 AC 02 00 00 
{3834682} normal block at 0x000002ACC9740B60, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x000002ACC7911500, 8 bytes long.
 Data: <P&#212;&#158;&#199;&#172;   > 50 D4 9E C7 AC 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002ACC7913840, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002ACC7908DE0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000002ACC7917DF0, 16 bytes long.
 Data: <&#168;&#137;&#145;&#199;&#172;           > A8 89 91 C7 AC 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002ACC7917D00, 16 bytes long.
 Data: < &#137;&#145;&#199;&#172;           > 80 89 91 C7 AC 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002ACC7912590, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000002ACC7917DA0, 16 bytes long.
 Data: <X&#137;&#145;&#199;&#172;           > 58 89 91 C7 AC 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002ACC7917CB0, 16 bytes long.
 Data: <0&#137;&#145;&#199;&#172;           > 30 89 91 C7 AC 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002ACC79181B0, 16 bytes long.
 Data: < &#137;&#145;&#199;&#172;           > 08 89 91 C7 AC 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002ACC7917AD0, 16 bytes long.
 Data: <&#224; &#145;&#199;&#172;           > E0 88 91 C7 AC 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002ACC7917400, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000002ACC7917A30, 16 bytes long.
 Data: <&#200;&#182; &#199;&#172;           > C8 B6 90 C7 AC 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002ACC79128F0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000002ACC7918390, 16 bytes long.
 Data: <&#160;&#182; &#199;&#172;           > A0 B6 90 C7 AC 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002ACC7917C60, 16 bytes long.
 Data: <x&#182; &#199;&#172;           > 78 B6 90 C7 AC 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002ACC7918070, 16 bytes long.
 Data: <P&#182; &#199;&#172;           > 50 B6 90 C7 AC 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002ACC7918610, 16 bytes long.
 Data: <(&#182; &#199;&#172;           > 28 B6 90 C7 AC 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002ACC7917E40, 16 bytes long.
 Data: < &#182; &#199;&#172;           > 00 B6 90 C7 AC 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002ACC7918020, 16 bytes long.
 Data: <&#216;&#181; &#199;&#172;           > D8 B5 90 C7 AC 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002ACC79126B0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000002ACC79179E0, 16 bytes long.
 Data: <&#176;&#181; &#199;&#172;           > B0 B5 90 C7 AC 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002ACC790B5B0, 320 bytes long.
 Data: <&#224;y&#145;&#199;&#172;   &#176;&&#145;&#199;&#172;   > E0 79 91 C7 AC 02 00 00 B0 26 91 C7 AC 02 00 00 
{274} normal block at 0x000002ACC7917A80, 16 bytes long.
 Data: <&#192; &#145;&#199;&#172;           > C0 88 91 C7 AC 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002ACC7917F80, 16 bytes long.
 Data: <  &#145;&#199;&#172;           > 98 88 91 C7 AC 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002ACC7912410, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000002ACC7917C10, 16 bytes long.
 Data: <p &#145;&#199;&#172;           > 70 88 91 C7 AC 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002ACC7912890, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000002ACC79178A0, 16 bytes long.
 Data: <&#184;&#135;&#145;&#199;&#172;           > B8 87 91 C7 AC 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002ACC7917D50, 16 bytes long.
 Data: < &#135;&#145;&#199;&#172;           > 90 87 91 C7 AC 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002ACC79182F0, 16 bytes long.
 Data: <h&#135;&#145;&#199;&#172;           > 68 87 91 C7 AC 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002ACC7918480, 16 bytes long.
 Data: <@&#135;&#145;&#199;&#172;           > 40 87 91 C7 AC 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002ACC79185C0, 16 bytes long.
 Data: < &#135;&#145;&#199;&#172;           > 18 87 91 C7 AC 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002ACC79178F0, 16 bytes long.
 Data: <&#240;&#134;&#145;&#199;&#172;           > F0 86 91 C7 AC 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002ACC7917BC0, 16 bytes long.
 Data: <&#192;n&#145;&#199;&#172;           > C0 6E 91 C7 AC 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002ACC7916EC0, 40 bytes long.
 Data: <&#192;{&#145;&#199;&#172;    &#187;r&#201;&#172;   > C0 7B 91 C7 AC 02 00 00 10 BB 72 C9 AC 02 00 00 
{260} normal block at 0x000002ACC7918340, 16 bytes long.
 Data: <&#208;&#134;&#145;&#199;&#172;           > D0 86 91 C7 AC 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002ACC7917F30, 16 bytes long.
 Data: <&#168;&#134;&#145;&#199;&#172;           > A8 86 91 C7 AC 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002ACC7912AD0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000002ACC7917B20, 16 bytes long.
 Data: < &#134;&#145;&#199;&#172;           > 80 86 91 C7 AC 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002ACC7918680, 992 bytes long.
 Data: < {&#145;&#199;&#172;   &#208;*&#145;&#199;&#172;   > 20 7B 91 C7 AC 02 00 00 D0 2A 91 C7 AC 02 00 00 
{92} normal block at 0x000002ACC7911FF0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000002ACC7911B40, 16 bytes long.
 Data: <`&#252; &#199;&#172;           > 60 FC 8F C7 AC 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000002ACC78FFC60, 40 bytes long.
 Data: <@ &#145;&#199;&#172;   &#240; &#145;&#199;&#172;   > 40 1B 91 C7 AC 02 00 00 F0 1F 91 C7 AC 02 00 00 
{69} normal block at 0x000002ACC7911820, 16 bytes long.
 Data: < &#234;&#223;&#200;&#246;           > 80 EA DF C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002ACC7911AA0, 16 bytes long.
 Data: <@&#233;&#223;&#200;&#246;           > 40 E9 DF C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002ACC7911960, 16 bytes long.
 Data: <&#248;W&#220;&#200;&#246;           > F8 57 DC C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002ACC7911A50, 16 bytes long.
 Data: <&#216;W&#220;&#200;&#246;           > D8 57 DC C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002ACC7911A00, 16 bytes long.
 Data: <P &#220;&#200;&#246;           > 50 04 DC C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002ACC7911BE0, 16 bytes long.
 Data: <0 &#220;&#200;&#246;           > 30 04 DC C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002ACC79114B0, 16 bytes long.
 Data: <&#224; &#220;&#200;&#246;           > E0 02 DC C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002ACC7911910, 16 bytes long.
 Data: <  &#220;&#200;&#246;           > 10 04 DC C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002ACC7911050, 16 bytes long.
 Data: <p &#220;&#200;&#246;           > 70 04 DC C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002ACC79117D0, 16 bytes long.
 Data: < &#192;&#218;&#200;&#246;           > 18 C0 DA C8 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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