Task 38648495

Name test_298-GPUGRID_TEST_ATM_40STEP_20261023-0-40-RND8529_0
Workunit 31593196
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, 3:10:10 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654792
Run time 15 min 12 sec
CPU time 14 min 9 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 728.84 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>
04:54:56 (14248): wrapper (7.9.26016): starting
04:54:56 (14248): 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
04:54:58 (14248): Library/usr/bin/tar.exe exited; CPU time 0.000000
04:54:58 (14248): 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
05:09:53 (14248): C:/Windows/system32/cmd.exe exited; CPU time 849.718750
05:09:53 (14248): 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: 20530171 bytes.
Dumping objects ->
{3835575} normal block at 0x000001636FA947A0, 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 0x000001636FA94CA0, 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 0x000001636FA94420, 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 0x000001636FA94A20, 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 0x000001636FA944A0, 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 0x000001636DEC60E0, 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 0x000001636DECF610, 8 bytes long.
 Data: <   nc   > 00 00 1E 6E 63 01 00 00 
{3833957} normal block at 0x000001636DECEE40, 8 bytes long.
 Data: <&#176;&#227;&#154;oc   > B0 E3 9A 6F 63 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001636DED0EB0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001636DEC6560, 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 0x000001636DED5870, 16 bytes long.
 Data: <8h&#237;mc           > 38 68 ED 6D 63 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001636DED5E60, 16 bytes long.
 Data: < h&#237;mc           > 10 68 ED 6D 63 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001636DECFD40, 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 0x000001636DED5820, 16 bytes long.
 Data: <&#232;g&#237;mc           > E8 67 ED 6D 63 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001636DED57D0, 16 bytes long.
 Data: <&#192;g&#237;mc           > C0 67 ED 6D 63 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001636DED5780, 16 bytes long.
 Data: < g&#237;mc           > 98 67 ED 6D 63 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001636DED5730, 16 bytes long.
 Data: <pg&#237;mc           > 70 67 ED 6D 63 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001636DED4C60, 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 0x000001636DED61D0, 16 bytes long.
 Data: <&#248; &#236;mc           > F8 8F EC 6D 63 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001636DECFEC0, 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 0x000001636DED56E0, 16 bytes long.
 Data: <&#208; &#236;mc           > D0 8F EC 6D 63 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001636DED5690, 16 bytes long.
 Data: <&#168; &#236;mc           > A8 8F EC 6D 63 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001636DED5CD0, 16 bytes long.
 Data: <  &#236;mc           > 80 8F EC 6D 63 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001636DED5640, 16 bytes long.
 Data: <X &#236;mc           > 58 8F EC 6D 63 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001636DED5E10, 16 bytes long.
 Data: <0 &#236;mc           > 30 8F EC 6D 63 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001636DED5C80, 16 bytes long.
 Data: <  &#236;mc           > 08 8F EC 6D 63 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001636DECFBC0, 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 0x000001636DED6400, 16 bytes long.
 Data: <&#224;&#142;&#236;mc           > E0 8E EC 6D 63 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001636DEC8EE0, 320 bytes long.
 Data: < d&#237;mc   &#192;&#251;&#236;mc   > 00 64 ED 6D 63 01 00 00 C0 FB EC 6D 63 01 00 00 
{274} normal block at 0x000001636DED55F0, 16 bytes long.
 Data: <Pg&#237;mc           > 50 67 ED 6D 63 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001636DED5B40, 16 bytes long.
 Data: <(g&#237;mc           > 28 67 ED 6D 63 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001636DED0460, 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 0x000001636DED5DC0, 16 bytes long.
 Data: < g&#237;mc           > 00 67 ED 6D 63 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001636DED0160, 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 0x000001636DED5C30, 16 bytes long.
 Data: <Hf&#237;mc           > 48 66 ED 6D 63 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001636DED63B0, 16 bytes long.
 Data: < f&#237;mc           > 20 66 ED 6D 63 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001636DED5A00, 16 bytes long.
 Data: <&#248;e&#237;mc           > F8 65 ED 6D 63 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001636DED55A0, 16 bytes long.
 Data: <&#208;e&#237;mc           > D0 65 ED 6D 63 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001636DED5D20, 16 bytes long.
 Data: <&#168;e&#237;mc           > A8 65 ED 6D 63 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001636DED6180, 16 bytes long.
 Data: < e&#237;mc           > 80 65 ED 6D 63 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001636DED60E0, 16 bytes long.
 Data: <PI&#237;mc           > 50 49 ED 6D 63 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001636DED4950, 40 bytes long.
 Data: <&#224;`&#237;mc   &#224;`&#236;mc   > E0 60 ED 6D 63 01 00 00 E0 60 EC 6D 63 01 00 00 
{260} normal block at 0x000001636DED5A50, 16 bytes long.
 Data: <`e&#237;mc           > 60 65 ED 6D 63 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001636DED6450, 16 bytes long.
 Data: <8e&#237;mc           > 38 65 ED 6D 63 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001636DED0640, 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 0x000001636DED64A0, 16 bytes long.
 Data: < e&#237;mc           > 10 65 ED 6D 63 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001636DED6510, 992 bytes long.
 Data: <&#160;d&#237;mc   @ &#237;mc   > A0 64 ED 6D 63 01 00 00 40 06 ED 6D 63 01 00 00 
{92} normal block at 0x000001636DECFA40, 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 0x000001636DECF480, 16 bytes long.
 Data: < &#229;&#235;mc           > 20 E5 EB 6D 63 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001636DEBE520, 40 bytes long.
 Data: < &#244;&#236;mc   @&#250;&#236;mc   > 80 F4 EC 6D 63 01 00 00 40 FA EC 6D 63 01 00 00 
{69} normal block at 0x000001636DECF110, 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 0x000001636DECEDA0, 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 0x000001636DECEC60, 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 0x000001636DECE940, 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 0x000001636DECE850, 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 0x000001636DECED00, 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 0x000001636DECF390, 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 0x000001636DECF1B0, 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 0x000001636DECED50, 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 0x000001636DECF660, 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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