Task 38667035

Name test_54-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND4596_1
Workunit 31608518
Created 25 Oct 2026, 6:02:11 UTC
Sent 25 Oct 2026, 6:13:52 UTC
Report deadline 30 Oct 2026, 6:13:52 UTC
Received 25 Oct 2026, 8:00:18 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654792
Run time 20 min 28 sec
CPU time 19 min 30 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 48,740.91 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 733.19 MB
Peak swap size 6.99 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:39:31 (32128): wrapper (7.9.26016): starting
08:39:31 (32128): 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
08:39:32 (32128): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:39:32 (32128): 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 'F:\Festplattenpogramme\Boinc\Boincy\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 'F:\Festplattenpogramme\Boinc\Boincy\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
08:59:59 (32128): C:/Windows/system32/cmd.exe exited; CPU time 1170.218750
08:59:59 (32128): called boinc_finish(0)
0 bytes in 0 Free Blocks.
336 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: 28243047 bytes.
Dumping objects ->
{3835573} normal block at 0x0000026249AAD450, 64 bytes long.
 Data: <PATH=F:\Festplat> 50 41 54 48 3D 46 3A 5C 46 65 73 74 70 6C 61 74 
{3835562} normal block at 0x0000026249AAC850, 64 bytes long.
 Data: <HOME=F:\Festplat> 48 4F 4D 45 3D 46 3A 5C 46 65 73 74 70 6C 61 74 
{3835551} normal block at 0x0000026247EC4A10, 48 bytes long.
 Data: <TMP=F:\Festplatt> 54 4D 50 3D 46 3A 5C 46 65 73 74 70 6C 61 74 74 
{3835540} normal block at 0x0000026249AAC950, 64 bytes long.
 Data: <TEMP=F:\Festplat> 54 45 4D 50 3D 46 3A 5C 46 65 73 74 70 6C 61 74 
{3835529} normal block at 0x0000026249AAD550, 64 bytes long.
 Data: <TMPDIR=F:\Festpl> 54 4D 50 44 49 52 3D 46 3A 5C 46 65 73 74 70 6C 
{3835498} normal block at 0x0000026247EB5920, 80 bytes long.
 Data: <PATH=F:\Festplat> 50 41 54 48 3D 46 3A 5C 46 65 73 74 70 6C 61 74 
..\api\boinc_api.cpp(309) : {3835485} normal block at 0x0000026247EBEA80, 8 bytes long.
 Data: <  &#231;Gb   > 00 00 E7 47 62 02 00 00 
{3833955} normal block at 0x0000026247EBE710, 8 bytes long.
 Data: <&#224;&#179;&#238;Gb   > E0 B3 EE 47 62 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000026247EC0050, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000026247EB5530, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x0000026247EC5620, 16 bytes long.
 Data: < `&#236;Gb           > 98 60 EC 47 62 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000026247EC5030, 16 bytes long.
 Data: <p`&#236;Gb           > 70 60 EC 47 62 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000026247EBF280, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x0000026247EC54E0, 16 bytes long.
 Data: <H`&#236;Gb           > 48 60 EC 47 62 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000026247EC4FE0, 16 bytes long.
 Data: < `&#236;Gb           > 20 60 EC 47 62 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000026247EC55D0, 16 bytes long.
 Data: <&#248;_&#236;Gb           > F8 5F EC 47 62 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000026247EC5AD0, 16 bytes long.
 Data: <&#208;_&#236;Gb           > D0 5F EC 47 62 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000026247EC4930, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x0000026247EC5A80, 16 bytes long.
 Data: <&#216;&#135;&#235;Gb           > D8 87 EB 47 62 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000026247EBFC40, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x0000026247EC4F90, 16 bytes long.
 Data: <&#176;&#135;&#235;Gb           > B0 87 EB 47 62 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000026247EC59E0, 16 bytes long.
 Data: < &#135;&#235;Gb           > 88 87 EB 47 62 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000026247EC5BC0, 16 bytes long.
 Data: <`&#135;&#235;Gb           > 60 87 EB 47 62 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000026247EC57B0, 16 bytes long.
 Data: <8&#135;&#235;Gb           > 38 87 EB 47 62 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000026247EC5580, 16 bytes long.
 Data: < &#135;&#235;Gb           > 10 87 EB 47 62 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000026247EC58F0, 16 bytes long.
 Data: <&#232;&#134;&#235;Gb           > E8 86 EB 47 62 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000026247EBF820, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x0000026247EC58A0, 16 bytes long.
 Data: <&#192;&#134;&#235;Gb           > C0 86 EB 47 62 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000026247EB86C0, 320 bytes long.
 Data: <&#160;X&#236;Gb    &#248;&#235;Gb   > A0 58 EC 47 62 02 00 00 20 F8 EB 47 62 02 00 00 
{273} normal block at 0x0000026247EC56C0, 16 bytes long.
 Data: <&#176;_&#236;Gb           > B0 5F EC 47 62 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000026247EC4F40, 16 bytes long.
 Data: < _&#236;Gb           > 88 5F EC 47 62 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000026247EBF400, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x0000026247EC5530, 16 bytes long.
 Data: <`_&#236;Gb           > 60 5F EC 47 62 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000026247EBF1C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x0000026247EC5A30, 16 bytes long.
 Data: <&#168;^&#236;Gb           > A8 5E EC 47 62 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000026247EC4EF0, 16 bytes long.
 Data: < ^&#236;Gb           > 80 5E EC 47 62 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000026247EC5210, 16 bytes long.
 Data: <X^&#236;Gb           > 58 5E EC 47 62 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000026247EC5760, 16 bytes long.
 Data: <0^&#236;Gb           > 30 5E EC 47 62 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000026247EC4E00, 16 bytes long.
 Data: < ^&#236;Gb           > 08 5E EC 47 62 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000026247EC5B70, 16 bytes long.
 Data: <&#224;]&#236;Gb           > E0 5D EC 47 62 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000026247EC5490, 16 bytes long.
 Data: <&#240;C&#236;Gb           > F0 43 EC 47 62 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000026247EC43F0, 40 bytes long.
 Data: < T&#236;Gb    Y&#235;Gb   > 90 54 EC 47 62 02 00 00 20 59 EB 47 62 02 00 00 
{259} normal block at 0x0000026247EC51C0, 16 bytes long.
 Data: <&#192;]&#236;Gb           > C0 5D EC 47 62 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000026247EC5260, 16 bytes long.
 Data: < ]&#236;Gb           > 98 5D EC 47 62 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000026247EBFCA0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x0000026247EC4EA0, 16 bytes long.
 Data: <p]&#236;Gb           > 70 5D EC 47 62 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000026247EC5D70, 992 bytes long.
 Data: <&#160;N&#236;Gb   &#160;&#252;&#235;Gb   > A0 4E EC 47 62 02 00 00 A0 FC EB 47 62 02 00 00 
{91} normal block at 0x0000026247EBFA00, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x0000026247EBEE40, 16 bytes long.
 Data: <p&#238;&#234;Gb           > 70 EE EA 47 62 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x0000026247EAEE70, 40 bytes long.
 Data: <@&#238;&#235;Gb    &#250;&#235;Gb   > 40 EE EB 47 62 02 00 00 00 FA EB 47 62 02 00 00 
{68} normal block at 0x0000026247EBE120, 16 bytes long.
 Data: < &#234;l &#247;           > 80 EA 6C 03 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000026247EBEB20, 16 bytes long.
 Data: <@&#233;l &#247;           > 40 E9 6C 03 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000026247EBE300, 16 bytes long.
 Data: <&#248;Wi &#247;           > F8 57 69 03 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000026247EBEDF0, 16 bytes long.
 Data: <&#216;Wi &#247;           > D8 57 69 03 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000026247EBEC60, 16 bytes long.
 Data: <P i &#247;           > 50 04 69 03 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000026247EBE6C0, 16 bytes long.
 Data: <0 i &#247;           > 30 04 69 03 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000026247EBE4E0, 16 bytes long.
 Data: <&#224; i &#247;           > E0 02 69 03 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000026247EBE620, 16 bytes long.
 Data: <  i &#247;           > 10 04 69 03 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000026247EBEF30, 16 bytes long.
 Data: <p i &#247;           > 70 04 69 03 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000026247EBE3A0, 16 bytes long.
 Data: < &#192;g &#247;           > 18 C0 67 03 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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