Task 38661756

Name test_549-GPUGRID_TEST_ATM_40STEP_20261023-3-40-RND1492_1
Workunit 31604915
Created 24 Oct 2026, 16:14:47 UTC
Sent 24 Oct 2026, 16:20:36 UTC
Report deadline 29 Oct 2026, 16:20:36 UTC
Received 24 Oct 2026, 19:53:23 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 639329
Run time 53 min 58 sec
CPU time 50 min 35 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,534.80 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 724.61 MB
Peak swap size 9.74 GB
Peak disk usage 3.59 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:15:23 (15584): wrapper (7.9.26016): starting
20:15:23 (15584): 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
20:15:24 (15584): Library/usr/bin/tar.exe exited; CPU time 0.015625
20:15:24 (15584): 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 'G:\Programme\BOINC\Data\slots\25\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 'G:\Programme\BOINC\Data\slots\25\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
21:07:51 (15584): C:/Windows/system32/cmd.exe exited; CPU time 3035.156250
21:07:51 (15584): called boinc_finish(0)
0 bytes in 0 Free Blocks.
476 bytes in 8 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: 71239103 bytes.
Dumping objects ->
{3835618} normal block at 0x00000176D0EF84E0, 64 bytes long.
 Data: <PATH=G:\Programm> 50 41 54 48 3D 47 3A 5C 50 72 6F 67 72 61 6D 6D 
{3835607} normal block at 0x00000176CF154370, 48 bytes long.
 Data: <HOME=G:\Programm> 48 4F 4D 45 3D 47 3A 5C 50 72 6F 67 72 61 6D 6D 
{3835596} normal block at 0x00000176CF1545A0, 48 bytes long.
 Data: <TMP=G:\Programme> 54 4D 50 3D 47 3A 5C 50 72 6F 67 72 61 6D 6D 65 
{3835585} normal block at 0x00000176CF154300, 48 bytes long.
 Data: <TEMP=G:\Programm> 54 45 4D 50 3D 47 3A 5C 50 72 6F 67 72 61 6D 6D 
{3835574} normal block at 0x00000176CF154450, 48 bytes long.
 Data: <TMPDIR=G:\Progra> 54 4D 50 44 49 52 3D 47 3A 5C 50 72 6F 67 72 61 
{3835543} normal block at 0x00000176D0EF7360, 64 bytes long.
 Data: <PATH=G:\Programm> 50 41 54 48 3D 47 3A 5C 50 72 6F 67 72 61 6D 6D 
{3835532} normal block at 0x00000176D0F0E340, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835529} normal block at 0x00000176CF14DD90, 8 bytes long.
 Data: <  `&#207;v   > 00 00 60 CF 76 01 00 00 
{3834720} normal block at 0x00000176D0F0D8F0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833959} normal block at 0x00000176CF14DD40, 8 bytes long.
 Data: < &#215; &#207;v   > 80 D7 13 CF 76 01 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000176CF14FCC0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000176CF145470, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x00000176CF155470, 16 bytes long.
 Data: < ] &#207;v           > 08 5D 15 CF 76 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000176CF155100, 16 bytes long.
 Data: <&#224;\ &#207;v           > E0 5C 15 CF 76 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000176CF14F490, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x00000176CF1558D0, 16 bytes long.
 Data: <&#184;\ &#207;v           > B8 5C 15 CF 76 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000176CF154ED0, 16 bytes long.
 Data: < \ &#207;v           > 90 5C 15 CF 76 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000176CF1557E0, 16 bytes long.
 Data: <h\ &#207;v           > 68 5C 15 CF 76 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000176CF155790, 16 bytes long.
 Data: <@\ &#207;v           > 40 5C 15 CF 76 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000176CF1546F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x00000176CF154CA0, 16 bytes long.
 Data: <h&#134; &#207;v           > 68 86 14 CF 76 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000176CF14F190, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x00000176CF155650, 16 bytes long.
 Data: <@&#134; &#207;v           > 40 86 14 CF 76 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000176CF155880, 16 bytes long.
 Data: < &#134; &#207;v           > 18 86 14 CF 76 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000176CF1555B0, 16 bytes long.
 Data: <&#240;&#133; &#207;v           > F0 85 14 CF 76 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000176CF155060, 16 bytes long.
 Data: <&#200;&#133; &#207;v           > C8 85 14 CF 76 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000176CF154FC0, 16 bytes long.
 Data: <&#160;&#133; &#207;v           > A0 85 14 CF 76 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000176CF154A20, 16 bytes long.
 Data: <x&#133; &#207;v           > 78 85 14 CF 76 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000176CF14EFB0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x00000176CF155740, 16 bytes long.
 Data: <P&#133; &#207;v           > 50 85 14 CF 76 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000176CF148550, 320 bytes long.
 Data: <@W &#207;v   &#176;&#239; &#207;v   > 40 57 15 CF 76 01 00 00 B0 EF 14 CF 76 01 00 00 
{275} normal block at 0x00000176CF155600, 16 bytes long.
 Data: < \ &#207;v           > 20 5C 15 CF 76 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000176CF154E80, 16 bytes long.
 Data: <&#248;[ &#207;v           > F8 5B 15 CF 76 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000176CF14FAF0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x00000176CF155510, 16 bytes long.
 Data: <&#208;[ &#207;v           > D0 5B 15 CF 76 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000176CF14ECB0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x00000176CF155970, 16 bytes long.
 Data: < [ &#207;v           > 18 5B 15 CF 76 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000176CF1556A0, 16 bytes long.
 Data: <&#240;Z &#207;v           > F0 5A 15 CF 76 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000176CF154F70, 16 bytes long.
 Data: <&#200;Z &#207;v           > C8 5A 15 CF 76 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000176CF155420, 16 bytes long.
 Data: <&#160;Z &#207;v           > A0 5A 15 CF 76 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000176CF155010, 16 bytes long.
 Data: <xZ &#207;v           > 78 5A 15 CF 76 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000176CF155330, 16 bytes long.
 Data: <PZ &#207;v           > 50 5A 15 CF 76 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000176CF155380, 16 bytes long.
 Data: <`@ &#207;v           > 60 40 15 CF 76 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000176CF154060, 40 bytes long.
 Data: < S &#207;v   `s&#239;&#208;v   > 80 53 15 CF 76 01 00 00 60 73 EF D0 76 01 00 00 
{261} normal block at 0x00000176CF1553D0, 16 bytes long.
 Data: <0Z &#207;v           > 30 5A 15 CF 76 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000176CF155560, 16 bytes long.
 Data: < Z &#207;v           > 08 5A 15 CF 76 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000176CF14F2B0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x00000176CF1554C0, 16 bytes long.
 Data: <&#224;Y &#207;v           > E0 59 15 CF 76 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000176CF1559E0, 992 bytes long.
 Data: <&#192;T &#207;v   &#176;&#242; &#207;v   > C0 54 15 CF 76 01 00 00 B0 F2 14 CF 76 01 00 00 
{93} normal block at 0x00000176CF14F130, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x00000176CF14EA10, 16 bytes long.
 Data: <P&#238; &#207;v           > 50 EE 13 CF 76 01 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x00000176CF13EE50, 40 bytes long.
 Data: < &#234; &#207;v   0&#241; &#207;v   > 10 EA 14 CF 76 01 00 00 30 F1 14 CF 76 01 00 00 
{70} normal block at 0x00000176CF14EAB0, 16 bytes long.
 Data: < &#234;n &#247;           > 80 EA 6E 1B F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000176CF14E290, 16 bytes long.
 Data: <@&#233;n &#247;           > 40 E9 6E 1B F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000176CF14E150, 16 bytes long.
 Data: <&#248;Wk &#247;           > F8 57 6B 1B F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000176CF14E330, 16 bytes long.
 Data: <&#216;Wk &#247;           > D8 57 6B 1B F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000176CF14DCF0, 16 bytes long.
 Data: <P k &#247;           > 50 04 6B 1B F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000176CF14E060, 16 bytes long.
 Data: <0 k &#247;           > 30 04 6B 1B F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000176CF14E420, 16 bytes long.
 Data: <&#224; k &#247;           > E0 02 6B 1B F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000176CF14E970, 16 bytes long.
 Data: <  k &#247;           > 10 04 6B 1B F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000176CF14EB50, 16 bytes long.
 Data: <p k &#247;           > 70 04 6B 1B F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000176CF14DCA0, 16 bytes long.
 Data: < &#192;i &#247;           > 18 C0 69 1B F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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