Task 38648497

Name test_300-GPUGRID_TEST_ATM_40STEP_20261023-0-40-RND6439_0
Workunit 31593198
Created 23 Oct 2026, 20:43:10 UTC
Sent 24 Oct 2026, 1:46:00 UTC
Report deadline 29 Oct 2026, 1:46:00 UTC
Received 24 Oct 2026, 2:54:06 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654792
Run time 13 min 14 sec
CPU time 13 min 14 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 732.87 MB
Peak swap size 6.99 GB
Peak disk usage 1.52 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:39:27 (12460): wrapper (7.9.26016): starting
04:39:27 (12460): 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
04:39:28 (12460): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:39:28 (12460): 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\16\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\16\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
04:53:46 (12460): C:/Windows/system32/cmd.exe exited; CPU time 794.828125
04:53:46 (12460): called boinc_finish(0)
0 bytes in 0 Free Blocks.
352 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: 19615155 bytes.
Dumping objects ->
{3835575} normal block at 0x000001EF89F08620, 64 bytes long.
 Data: <PATH=F:\Festplat> 50 41 54 48 3D 46 3A 5C 46 65 73 74 70 6C 61 74 
{3835564} normal block at 0x000001EF89F08FA0, 64 bytes long.
 Data: <HOME=F:\Festplat> 48 4F 4D 45 3D 46 3A 5C 46 65 73 74 70 6C 61 74 
{3835553} normal block at 0x000001EF89F08420, 64 bytes long.
 Data: <TMP=F:\Festplatt> 54 4D 50 3D 46 3A 5C 46 65 73 74 70 6C 61 74 74 
{3835542} normal block at 0x000001EF89F08E20, 64 bytes long.
 Data: <TEMP=F:\Festplat> 54 45 4D 50 3D 46 3A 5C 46 65 73 74 70 6C 61 74 
{3835531} normal block at 0x000001EF89F08BA0, 64 bytes long.
 Data: <TMPDIR=F:\Festpl> 54 4D 50 44 49 52 3D 46 3A 5C 46 65 73 74 70 6C 
{3835500} normal block at 0x000001EF88195F30, 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) : {3835487} normal block at 0x000001EF8819F200, 8 bytes long.
 Data: <  m &#239;   > 00 00 6D 88 EF 01 00 00 
{3833957} normal block at 0x000001EF8819EA30, 8 bytes long.
 Data: <&#176;&#227;&#225;&#137;&#239;   > B0 E3 E1 89 EF 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001EF881A0EB0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001EF881969E0, 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 0x000001EF881A5AA0, 16 bytes long.
 Data: <8h  &#239;           > 38 68 1A 88 EF 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001EF881A5690, 16 bytes long.
 Data: < h  &#239;           > 10 68 1A 88 EF 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001EF881A06A0, 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 0x000001EF881A5640, 16 bytes long.
 Data: <&#232;g  &#239;           > E8 67 1A 88 EF 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001EF881A55A0, 16 bytes long.
 Data: <&#192;g  &#239;           > C0 67 1A 88 EF 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001EF881A58C0, 16 bytes long.
 Data: < g  &#239;           > 98 67 1A 88 EF 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001EF881A64A0, 16 bytes long.
 Data: <pg  &#239;           > 70 67 1A 88 EF 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001EF881A49C0, 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 0x000001EF881A5E10, 16 bytes long.
 Data: <&#248;   &#239;           > F8 8F 19 88 EF 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001EF8819FBC0, 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 0x000001EF881A6180, 16 bytes long.
 Data: <&#208;   &#239;           > D0 8F 19 88 EF 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001EF881A5CD0, 16 bytes long.
 Data: <&#168;   &#239;           > A8 8F 19 88 EF 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001EF881A5960, 16 bytes long.
 Data: <    &#239;           > 80 8F 19 88 EF 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001EF881A5780, 16 bytes long.
 Data: <X   &#239;           > 58 8F 19 88 EF 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001EF881A6090, 16 bytes long.
 Data: <0   &#239;           > 30 8F 19 88 EF 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001EF881A6450, 16 bytes long.
 Data: <    &#239;           > 08 8F 19 88 EF 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001EF881A0400, 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 0x000001EF881A6400, 16 bytes long.
 Data: <&#224;&#142;  &#239;           > E0 8E 19 88 EF 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001EF88198EE0, 320 bytes long.
 Data: < d  &#239;       &#239;   > 00 64 1A 88 EF 01 00 00 00 04 1A 88 EF 01 00 00 
{274} normal block at 0x000001EF881A6310, 16 bytes long.
 Data: <Pg  &#239;           > 50 67 1A 88 EF 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001EF881A5E60, 16 bytes long.
 Data: <(g  &#239;           > 28 67 1A 88 EF 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001EF8819FC20, 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 0x000001EF881A5820, 16 bytes long.
 Data: < g  &#239;           > 00 67 1A 88 EF 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001EF881A0640, 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 0x000001EF881A6270, 16 bytes long.
 Data: <Hf  &#239;           > 48 66 1A 88 EF 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001EF881A5A00, 16 bytes long.
 Data: < f  &#239;           > 20 66 1A 88 EF 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001EF881A63B0, 16 bytes long.
 Data: <&#248;e  &#239;           > F8 65 1A 88 EF 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001EF881A6220, 16 bytes long.
 Data: <&#208;e  &#239;           > D0 65 1A 88 EF 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001EF881A5F00, 16 bytes long.
 Data: <&#168;e  &#239;           > A8 65 1A 88 EF 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001EF881A6040, 16 bytes long.
 Data: < e  &#239;           > 80 65 1A 88 EF 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001EF881A5EB0, 16 bytes long.
 Data: <&#160;J  &#239;           > A0 4A 1A 88 EF 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001EF881A4AA0, 40 bytes long.
 Data: <&#176;^  &#239;   0_  &#239;   > B0 5E 1A 88 EF 01 00 00 30 5F 19 88 EF 01 00 00 
{260} normal block at 0x000001EF881A5910, 16 bytes long.
 Data: <`e  &#239;           > 60 65 1A 88 EF 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001EF881A5C80, 16 bytes long.
 Data: <8e  &#239;           > 38 65 1A 88 EF 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001EF881A05E0, 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 0x000001EF881A62C0, 16 bytes long.
 Data: < e  &#239;           > 10 65 1A 88 EF 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001EF881A6510, 992 bytes long.
 Data: <&#192;b  &#239;   &#224;   &#239;   > C0 62 1A 88 EF 01 00 00 E0 05 1A 88 EF 01 00 00 
{92} normal block at 0x000001EF8819FA40, 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 0x000001EF8819E940, 16 bytes long.
 Data: <&#192;&#227;  &#239;           > C0 E3 18 88 EF 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001EF8818E3C0, 40 bytes long.
 Data: <@&#233;  &#239;   @&#250;  &#239;   > 40 E9 19 88 EF 01 00 00 40 FA 19 88 EF 01 00 00 
{69} normal block at 0x000001EF8819E8F0, 16 bytes long.
 Data: < &#234;&#166;&#234;&#247;           > 80 EA A6 EA F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001EF8819E8A0, 16 bytes long.
 Data: <@&#233;&#166;&#234;&#247;           > 40 E9 A6 EA F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001EF8819F660, 16 bytes long.
 Data: <&#248;W&#163;&#234;&#247;           > F8 57 A3 EA F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001EF8819E850, 16 bytes long.
 Data: <&#216;W&#163;&#234;&#247;           > D8 57 A3 EA F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001EF8819F7A0, 16 bytes long.
 Data: <P &#163;&#234;&#247;           > 50 04 A3 EA F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001EF8819ED00, 16 bytes long.
 Data: <0 &#163;&#234;&#247;           > 30 04 A3 EA F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001EF8819EDA0, 16 bytes long.
 Data: <&#224; &#163;&#234;&#247;           > E0 02 A3 EA F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001EF8819EAD0, 16 bytes long.
 Data: <  &#163;&#234;&#247;           > 10 04 A3 EA F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001EF8819F2F0, 16 bytes long.
 Data: <p &#163;&#234;&#247;           > 70 04 A3 EA F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001EF8819E990, 16 bytes long.
 Data: < &#192;&#161;&#234;&#247;           > 18 C0 A1 EA F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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