Task 38677895

Name test_234-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND0676_0
Workunit 31619749
Created 26 Oct 2026, 15:44:11 UTC
Sent 26 Oct 2026, 15:44:20 UTC
Report deadline 31 Oct 2026, 15:44:20 UTC
Received 26 Oct 2026, 16:22:09 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 140554
Run time 36 min 52 sec
CPU time 36 min 52 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 35,585.07 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 730.69 MB
Peak swap size 13.03 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
08:46:59 (3520): wrapper (7.9.26016): starting
08:46:59 (3520): 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
08:47:01 (3520): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:47:01 (3520): 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\7\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\7\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: Exiting with failure status due to previous errors
09:20:36 (3520): C:/Windows/system32/cmd.exe exited; CPU time 2212.625000
09:20:36 (3520): 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: 34466941 bytes.
Dumping objects ->
{3835233} normal block at 0x0000021097CD0ED0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835222} normal block at 0x0000021097CD0840, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835211} normal block at 0x0000021097CD0D10, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835200} normal block at 0x0000021097CD1640, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835189} normal block at 0x0000021097CD1410, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835158} normal block at 0x0000021097D7CA10, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835147} normal block at 0x0000021097DDEA00, 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) : {3835144} normal block at 0x00000210960E8890, 8 bytes long.
 Data: <   &#150;    > 00 00 06 96 10 02 00 00 
{3834540} normal block at 0x0000021097DDF240, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x00000210960E7D00, 8 bytes long.
 Data: <&#176;&#191; &#150;    > B0 BF 14 96 10 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000210960F18D0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000210960EE100, 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 0x00000210960F2960, 16 bytes long.
 Data: < O &#150;            > 18 4F 0F 96 10 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000210960F2AA0, 16 bytes long.
 Data: <&#240;N &#150;            > F0 4E 0F 96 10 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000210960ED260, 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 0x00000210960F3180, 16 bytes long.
 Data: <&#200;N &#150;            > C8 4E 0F 96 10 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000210960F2910, 16 bytes long.
 Data: <&#160;N &#150;            > A0 4E 0F 96 10 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000210960F30E0, 16 bytes long.
 Data: <xN &#150;            > 78 4E 0F 96 10 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000210960F33B0, 16 bytes long.
 Data: <PN &#150;            > 50 4E 0F 96 10 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000210960EE450, 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 0x00000210960F3270, 16 bytes long.
 Data: <&#216;&#176; &#150;            > D8 B0 0D 96 10 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000210960ECC60, 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 0x00000210960F28C0, 16 bytes long.
 Data: <&#176;&#176; &#150;            > B0 B0 0D 96 10 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000210960F2870, 16 bytes long.
 Data: < &#176; &#150;            > 88 B0 0D 96 10 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000210960F3400, 16 bytes long.
 Data: <`&#176; &#150;            > 60 B0 0D 96 10 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000210960F3680, 16 bytes long.
 Data: <8&#176; &#150;            > 38 B0 0D 96 10 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000210960F3090, 16 bytes long.
 Data: < &#176; &#150;            > 10 B0 0D 96 10 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000210960F3590, 16 bytes long.
 Data: <&#232;&#175; &#150;            > E8 AF 0D 96 10 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000210960ED440, 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 0x00000210960F3040, 16 bytes long.
 Data: <&#192;&#175; &#150;            > C0 AF 0D 96 10 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000210960DAFC0, 320 bytes long.
 Data: <@0 &#150;    @&#212; &#150;    > 40 30 0F 96 10 02 00 00 40 D4 0E 96 10 02 00 00 
{275} normal block at 0x00000210960F35E0, 16 bytes long.
 Data: <0N &#150;            > 30 4E 0F 96 10 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000210960F3130, 16 bytes long.
 Data: < N &#150;            > 08 4E 0F 96 10 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000210960ECA20, 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 0x00000210960F2C80, 16 bytes long.
 Data: <&#224;M &#150;            > E0 4D 0F 96 10 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000210960ED320, 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 0x00000210960F2D70, 16 bytes long.
 Data: <(M &#150;            > 28 4D 0F 96 10 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000210960F2E60, 16 bytes long.
 Data: < M &#150;            > 00 4D 0F 96 10 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000210960F2C30, 16 bytes long.
 Data: <&#216;L &#150;            > D8 4C 0F 96 10 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000210960F2BE0, 16 bytes long.
 Data: <&#176;L &#150;            > B0 4C 0F 96 10 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000210960F3770, 16 bytes long.
 Data: < L &#150;            > 88 4C 0F 96 10 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000210960F3360, 16 bytes long.
 Data: <`L &#150;            > 60 4C 0F 96 10 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000210960F2E10, 16 bytes long.
 Data: <&#192;&#228; &#150;            > C0 E4 0E 96 10 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000210960EE4C0, 40 bytes long.
 Data: < . &#150;     &#202;&#215;&#151;    > 10 2E 0F 96 10 02 00 00 10 CA D7 97 10 02 00 00 
{261} normal block at 0x00000210960F2820, 16 bytes long.
 Data: <@L &#150;            > 40 4C 0F 96 10 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000210960F2DC0, 16 bytes long.
 Data: < L &#150;            > 18 4C 0F 96 10 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000210960ED200, 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 0x00000210960F34F0, 16 bytes long.
 Data: <&#240;K &#150;            > F0 4B 0F 96 10 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000210960F4BF0, 992 bytes long.
 Data: <&#240;4 &#150;     &#210; &#150;    > F0 34 0F 96 10 02 00 00 00 D2 0E 96 10 02 00 00 
{93} normal block at 0x00000210960ED020, 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 0x00000210960E7A30, 16 bytes long.
 Data: < &#227; &#150;            > 00 E3 0E 96 10 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x00000210960EE300, 40 bytes long.
 Data: <0z &#150;     &#208; &#150;    > 30 7A 0E 96 10 02 00 00 20 D0 0E 96 10 02 00 00 
{70} normal block at 0x00000210960E87A0, 16 bytes long.
 Data: < &#234; &#245;&#247;           > 80 EA 00 F5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000210960E8750, 16 bytes long.
 Data: <@&#233; &#245;&#247;           > 40 E9 00 F5 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000210960E86B0, 16 bytes long.
 Data: <&#248;W&#253;&#244;&#247;           > F8 57 FD F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000210960E7F30, 16 bytes long.
 Data: <&#216;W&#253;&#244;&#247;           > D8 57 FD F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000210960E8840, 16 bytes long.
 Data: <P &#253;&#244;&#247;           > 50 04 FD F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000210960E8070, 16 bytes long.
 Data: <0 &#253;&#244;&#247;           > 30 04 FD F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000210960E82F0, 16 bytes long.
 Data: <&#224; &#253;&#244;&#247;           > E0 02 FD F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000210960E82A0, 16 bytes long.
 Data: <  &#253;&#244;&#247;           > 10 04 FD F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000210960E8700, 16 bytes long.
 Data: <p &#253;&#244;&#247;           > 70 04 FD F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000210960E8660, 16 bytes long.
 Data: < &#192;&#251;&#244;&#247;           > 18 C0 FB F4 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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