Task 38648493

Name test_296-GPUGRID_TEST_ATM_40STEP_20261023-0-40-RND7382_0
Workunit 31593194
Created 23 Oct 2026, 20:43:05 UTC
Sent 24 Oct 2026, 1:46:00 UTC
Report deadline 29 Oct 2026, 1:46:00 UTC
Received 24 Oct 2026, 2:38:23 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654792
Run time 13 min 21 sec
CPU time 13 min 21 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 737.70 MB
Peak swap size 7.00 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
04:23:51 (13704): wrapper (7.9.26016): starting
04:23:51 (13704): 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
04:23:52 (13704): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:23:52 (13704): 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
04:38:03 (13704): C:/Windows/system32/cmd.exe exited; CPU time 801.468750
04:38:03 (13704): 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: 19635029 bytes.
Dumping objects ->
{3835575} normal block at 0x0000026214006CE0, 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 0x0000026214006C60, 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 0x0000026214006BE0, 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 0x0000026214007C60, 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 0x0000026214008760, 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 0x0000026212346570, 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 0x000002621234F440, 8 bytes long.
 Data: <  2 b   > 00 00 32 12 62 02 00 00 
{3833957} normal block at 0x000002621234ECC0, 8 bytes long.
 Data: <@d	 b   > 40 64 09 14 62 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000262123513C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000026212346060, 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 0x0000026212357200, 16 bytes long.
 Data: < &#131;5 b           > 08 83 35 12 62 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000262123571B0, 16 bytes long.
 Data: <&#224;&#130;5 b           > E0 82 35 12 62 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002621234FC30, 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 0x00000262123575C0, 16 bytes long.
 Data: <&#184;&#130;5 b           > B8 82 35 12 62 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000026212357570, 16 bytes long.
 Data: < &#130;5 b           > 90 82 35 12 62 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000026212357A20, 16 bytes long.
 Data: <h&#130;5 b           > 68 82 35 12 62 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000026212357CA0, 16 bytes long.
 Data: <@&#130;5 b           > 40 82 35 12 62 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000026212356DC0, 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 0x0000026212357C00, 16 bytes long.
 Data: <&#232;&#230;4 b           > E8 E6 34 12 62 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002621234FDB0, 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 0x00000262123579D0, 16 bytes long.
 Data: <&#192;&#230;4 b           > C0 E6 34 12 62 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000026212357BB0, 16 bytes long.
 Data: < &#230;4 b           > 98 E6 34 12 62 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000026212357480, 16 bytes long.
 Data: <p&#230;4 b           > 70 E6 34 12 62 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000026212357520, 16 bytes long.
 Data: <H&#230;4 b           > 48 E6 34 12 62 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000262123570C0, 16 bytes long.
 Data: < &#230;4 b           > 20 E6 34 12 62 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000026212357430, 16 bytes long.
 Data: <&#248;&#229;4 b           > F8 E5 34 12 62 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000026212350050, 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 0x0000026212357D40, 16 bytes long.
 Data: <&#208;&#229;4 b           > D0 E5 34 12 62 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002621234E5D0, 320 bytes long.
 Data: <@}5 b   P 5 b   > 40 7D 35 12 62 02 00 00 50 00 35 12 62 02 00 00 
{274} normal block at 0x0000026212357C50, 16 bytes long.
 Data: < &#130;5 b           > 20 82 35 12 62 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000026212357B10, 16 bytes long.
 Data: <&#248; 5 b           > F8 81 35 12 62 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000262123506B0, 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 0x0000026212357020, 16 bytes long.
 Data: <&#208; 5 b           > D0 81 35 12 62 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000026212350410, 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 0x0000026212357AC0, 16 bytes long.
 Data: <  5 b           > 18 81 35 12 62 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000026212357750, 16 bytes long.
 Data: <&#240; 5 b           > F0 80 35 12 62 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000026212357A70, 16 bytes long.
 Data: <&#200; 5 b           > C8 80 35 12 62 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000026212357110, 16 bytes long.
 Data: <&#160; 5 b           > A0 80 35 12 62 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000026212357700, 16 bytes long.
 Data: <x 5 b           > 78 80 35 12 62 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000262123572A0, 16 bytes long.
 Data: <P 5 b           > 50 80 35 12 62 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000026212357160, 16 bytes long.
 Data: <Pm5 b           > 50 6D 35 12 62 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000026212356D50, 40 bytes long.
 Data: <`q5 b   pe4 b   > 60 71 35 12 62 02 00 00 70 65 34 12 62 02 00 00 
{260} normal block at 0x0000026212357E30, 16 bytes long.
 Data: <0 5 b           > 30 80 35 12 62 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000026212357980, 16 bytes long.
 Data: <  5 b           > 08 80 35 12 62 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002621234FD50, 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 0x0000026212357930, 16 bytes long.
 Data: <&#224; 5 b           > E0 7F 35 12 62 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000026212357FE0, 992 bytes long.
 Data: <0y5 b   P&#253;4 b   > 30 79 35 12 62 02 00 00 50 FD 34 12 62 02 00 00 
{92} normal block at 0x000002621234F870, 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 0x000002621234F620, 16 bytes long.
 Data: <@&#193;3 b           > 40 C1 33 12 62 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000002621233C140, 40 bytes long.
 Data: < &#246;4 b   p&#248;4 b   > 20 F6 34 12 62 02 00 00 70 F8 34 12 62 02 00 00 
{69} normal block at 0x000002621234EC70, 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 0x000002621234EC20, 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 0x000002621234E950, 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 0x000002621234EA90, 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 0x000002621234EF40, 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 0x000002621234EBD0, 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 0x000002621234F6C0, 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 0x000002621234F300, 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 0x000002621234EFE0, 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 0x000002621234EDB0, 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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