Task 38666076

Name test_526-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND6658_0
Workunit 31609105
Created 25 Oct 2026, 2:02:24 UTC
Sent 25 Oct 2026, 6:13:52 UTC
Report deadline 30 Oct 2026, 6:13:52 UTC
Received 25 Oct 2026, 7:38:06 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654792
Run time 19 min 26 sec
CPU time 18 min 32 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 734.97 MB
Peak swap size 7.00 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:18:32 (10044): wrapper (7.9.26016): starting
08:18:32 (10044): 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
08:18:33 (10044): Library/usr/bin/tar.exe exited; CPU time 0.015625
08:18:33 (10044): 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
08:37:48 (10044): C:/Windows/system32/cmd.exe exited; CPU time 1112.171875
08:37:48 (10044): 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: 26642037 bytes.
Dumping objects ->
{3835573} normal block at 0x000001BD680FD0D0, 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 0x000001BD680FD3D0, 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 0x000001BD664648C0, 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 0x000001BD680FCBD0, 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 0x000001BD680FD1D0, 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 0x000001BD66455800, 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 0x000001BD6645E260, 8 bytes long.
 Data: <  &#163;f&#189;   > 00 00 A3 66 BD 01 00 00 
{3833955} normal block at 0x000001BD6645EF30, 8 bytes long.
 Data: <&#224;&#179;Hf&#189;   > E0 B3 48 66 BD 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001BD66460050, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001BD664554A0, 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 0x000001BD66464EF0, 16 bytes long.
 Data: < `Ff&#189;           > 98 60 46 66 BD 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001BD664658F0, 16 bytes long.
 Data: <p`Ff&#189;           > 70 60 46 66 BD 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001BD6645F4C0, 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 0x000001BD664658A0, 16 bytes long.
 Data: <H`Ff&#189;           > 48 60 46 66 BD 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001BD66464F40, 16 bytes long.
 Data: < `Ff&#189;           > 20 60 46 66 BD 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001BD66465350, 16 bytes long.
 Data: <&#248;_Ff&#189;           > F8 5F 46 66 BD 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001BD66465850, 16 bytes long.
 Data: <&#208;_Ff&#189;           > D0 5F 46 66 BD 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001BD66464700, 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 0x000001BD664657B0, 16 bytes long.
 Data: <&#216;&#135;Ef&#189;           > D8 87 45 66 BD 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001BD6645F040, 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 0x000001BD66464E50, 16 bytes long.
 Data: <&#176;&#135;Ef&#189;           > B0 87 45 66 BD 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001BD66465800, 16 bytes long.
 Data: < &#135;Ef&#189;           > 88 87 45 66 BD 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001BD664651C0, 16 bytes long.
 Data: <`&#135;Ef&#189;           > 60 87 45 66 BD 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001BD66465710, 16 bytes long.
 Data: <8&#135;Ef&#189;           > 38 87 45 66 BD 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001BD66465AD0, 16 bytes long.
 Data: < &#135;Ef&#189;           > 10 87 45 66 BD 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001BD66464DB0, 16 bytes long.
 Data: <&#232;&#134;Ef&#189;           > E8 86 45 66 BD 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001BD6645F760, 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 0x000001BD664655D0, 16 bytes long.
 Data: <&#192;&#134;Ef&#189;           > C0 86 45 66 BD 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001BD664586C0, 320 bytes long.
 Data: <&#208;UFf&#189;   `&#247;Ef&#189;   > D0 55 46 66 BD 01 00 00 60 F7 45 66 BD 01 00 00 
{273} normal block at 0x000001BD66464E00, 16 bytes long.
 Data: <&#176;_Ff&#189;           > B0 5F 46 66 BD 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001BD66464FE0, 16 bytes long.
 Data: < _Ff&#189;           > 88 5F 46 66 BD 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001BD6645F3A0, 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 0x000001BD66465760, 16 bytes long.
 Data: <`_Ff&#189;           > 60 5F 46 66 BD 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001BD6645FB80, 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 0x000001BD66465030, 16 bytes long.
 Data: <&#168;^Ff&#189;           > A8 5E 46 66 BD 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001BD66465A30, 16 bytes long.
 Data: < ^Ff&#189;           > 80 5E 46 66 BD 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001BD664659E0, 16 bytes long.
 Data: <X^Ff&#189;           > 58 5E 46 66 BD 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001BD66465260, 16 bytes long.
 Data: <0^Ff&#189;           > 30 5E 46 66 BD 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001BD66465C10, 16 bytes long.
 Data: < ^Ff&#189;           > 08 5E 46 66 BD 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001BD66465170, 16 bytes long.
 Data: <&#224;]Ff&#189;           > E0 5D 46 66 BD 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001BD66465670, 16 bytes long.
 Data: < FFf&#189;           > 90 46 46 66 BD 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001BD66464690, 40 bytes long.
 Data: <pVFf&#189;    XEf&#189;   > 70 56 46 66 BD 01 00 00 00 58 45 66 BD 01 00 00 
{259} normal block at 0x000001BD66465990, 16 bytes long.
 Data: <&#192;]Ff&#189;           > C0 5D 46 66 BD 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001BD66465580, 16 bytes long.
 Data: < ]Ff&#189;           > 98 5D 46 66 BD 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001BD6645F6A0, 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 0x000001BD66464F90, 16 bytes long.
 Data: <p]Ff&#189;           > 70 5D 46 66 BD 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001BD66465D70, 992 bytes long.
 Data: < OFf&#189;   &#160;&#246;Ef&#189;   > 90 4F 46 66 BD 01 00 00 A0 F6 45 66 BD 01 00 00 
{91} normal block at 0x000001BD6645F2E0, 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 0x000001BD6645E850, 16 bytes long.
 Data: <p&#238;Df&#189;           > 70 EE 44 66 BD 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000001BD6644EE70, 40 bytes long.
 Data: <P&#232;Ef&#189;   &#224;&#242;Ef&#189;   > 50 E8 45 66 BD 01 00 00 E0 F2 45 66 BD 01 00 00 
{68} normal block at 0x000001BD6645EC10, 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 0x000001BD6645E9E0, 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 0x000001BD6645EA80, 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 0x000001BD6645ED50, 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 0x000001BD6645E760, 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 0x000001BD6645E670, 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 0x000001BD6645E080, 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 0x000001BD6645E1C0, 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 0x000001BD6645E170, 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 0x000001BD6645ECB0, 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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