Task 38670907

Name test_324-GPUGRID_TEST_ATM_40STEP_20261023-21-40-RND3407_0
Workunit 31613132
Created 25 Oct 2026, 18:56:11 UTC
Sent 25 Oct 2026, 18:56:19 UTC
Report deadline 30 Oct 2026, 18:56:19 UTC
Received 25 Oct 2026, 20:48:37 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 639329
Run time 53 min 4 sec
CPU time 48 min 7 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 724.55 MB
Peak swap size 9.74 GB
Peak disk usage 4.05 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
20:56:37 (30380): wrapper (7.9.26016): starting
20:56:37 (30380): 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
20:56:38 (30380): Library/usr/bin/tar.exe exited; CPU time 0.015625
20:56:38 (30380): 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\32\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\32\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
21:48:15 (30380): C:/Windows/system32/cmd.exe exited; CPU time 2887.671875
21:48:15 (30380): 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: 79476191 bytes.
Dumping objects ->
{3835618} normal block at 0x00000263D44C9870, 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 0x00000263D26D4C30, 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 0x00000263D26D4F40, 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 0x00000263D26D5100, 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 0x00000263D26D4ED0, 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 0x00000263D44C88F0, 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 0x00000263D44DEDD0, 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 0x00000263D26CF530, 8 bytes long.
 Data: <  &#171;&#210;c   > 00 00 AB D2 63 02 00 00 
{3834720} normal block at 0x00000263D44DEB10, 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 0x00000263D26CF0D0, 8 bytes long.
 Data: <&#208;&#219;=&#212;c   > D0 DB 3D D4 63 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x00000263D26BF410, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000263D26C62C0, 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 0x00000263D26D5730, 16 bytes long.
 Data: <hem&#210;c           > 68 65 6D D2 63 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000263D26D54B0, 16 bytes long.
 Data: <@em&#210;c           > 40 65 6D D2 63 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000263D26CF750, 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 0x00000263D26D52D0, 16 bytes long.
 Data: < em&#210;c           > 18 65 6D D2 63 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000263D26D5AF0, 16 bytes long.
 Data: <&#240;dm&#210;c           > F0 64 6D D2 63 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000263D26D5F00, 16 bytes long.
 Data: <&#200;dm&#210;c           > C8 64 6D D2 63 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000263D26D5DC0, 16 bytes long.
 Data: <&#160;dm&#210;c           > A0 64 6D D2 63 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000263D26D4D10, 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 0x00000263D26D5280, 16 bytes long.
 Data: <H&#230;k&#210;c           > 48 E6 6B D2 63 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000263D26D0350, 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 0x00000263D26D5870, 16 bytes long.
 Data: < &#230;k&#210;c           > 20 E6 6B D2 63 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000263D26D61D0, 16 bytes long.
 Data: <&#248;&#229;k&#210;c           > F8 E5 6B D2 63 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000263D26D5460, 16 bytes long.
 Data: <&#208;&#229;k&#210;c           > D0 E5 6B D2 63 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000263D26D5690, 16 bytes long.
 Data: <&#168;&#229;k&#210;c           > A8 E5 6B D2 63 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000263D26D6130, 16 bytes long.
 Data: < &#229;k&#210;c           > 80 E5 6B D2 63 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000263D26D56E0, 16 bytes long.
 Data: <X&#229;k&#210;c           > 58 E5 6B D2 63 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000263D26D00B0, 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 0x00000263D26D60E0, 16 bytes long.
 Data: <0&#229;k&#210;c           > 30 E5 6B D2 63 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000263D26BE530, 320 bytes long.
 Data: <&#224;`m&#210;c   &#176; m&#210;c   > E0 60 6D D2 63 02 00 00 B0 00 6D D2 63 02 00 00 
{275} normal block at 0x00000263D26D6180, 16 bytes long.
 Data: < dm&#210;c           > 80 64 6D D2 63 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000263D26D6090, 16 bytes long.
 Data: <Xdm&#210;c           > 58 64 6D D2 63 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000263D26CFDB0, 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 0x00000263D26D5C30, 16 bytes long.
 Data: <0dm&#210;c           > 30 64 6D D2 63 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000263D26CFA50, 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 0x00000263D26D5410, 16 bytes long.
 Data: <xcm&#210;c           > 78 63 6D D2 63 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000263D26D53C0, 16 bytes long.
 Data: <Pcm&#210;c           > 50 63 6D D2 63 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000263D26D6040, 16 bytes long.
 Data: <(cm&#210;c           > 28 63 6D D2 63 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000263D26D5AA0, 16 bytes long.
 Data: < cm&#210;c           > 00 63 6D D2 63 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000263D26D5EB0, 16 bytes long.
 Data: <&#216;bm&#210;c           > D8 62 6D D2 63 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000263D26D5D70, 16 bytes long.
 Data: <&#176;bm&#210;c           > B0 62 6D D2 63 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000263D26D5FF0, 16 bytes long.
 Data: < Pm&#210;c           > 20 50 6D D2 63 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000263D26D5020, 40 bytes long.
 Data: <&#240;_m&#210;c   &#240; L&#212;c   > F0 5F 6D D2 63 02 00 00 F0 88 4C D4 63 02 00 00 
{261} normal block at 0x00000263D26D5820, 16 bytes long.
 Data: < bm&#210;c           > 90 62 6D D2 63 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000263D26D5910, 16 bytes long.
 Data: <hbm&#210;c           > 68 62 6D D2 63 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000263D26D0590, 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 0x00000263D26D5370, 16 bytes long.
 Data: <@bm&#210;c           > 40 62 6D D2 63 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000263D26D6240, 992 bytes long.
 Data: <pSm&#210;c     m&#210;c   > 70 53 6D D2 63 02 00 00 90 05 6D D2 63 02 00 00 
{93} normal block at 0x00000263D26CF990, 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 0x00000263D26CEEA0, 16 bytes long.
 Data: <&#224;&#210;k&#210;c           > E0 D2 6B D2 63 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x00000263D26BD2E0, 40 bytes long.
 Data: <&#160;&#238;l&#210;c    &#249;l&#210;c   > A0 EE 6C D2 63 02 00 00 90 F9 6C D2 63 02 00 00 
{70} normal block at 0x00000263D26CEC70, 16 bytes long.
 Data: < &#234;&#179;V&#247;           > 80 EA B3 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000263D26CE810, 16 bytes long.
 Data: <@&#233;&#179;V&#247;           > 40 E9 B3 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000263D26CEFE0, 16 bytes long.
 Data: <&#248;W&#176;V&#247;           > F8 57 B0 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000263D26CE950, 16 bytes long.
 Data: <&#216;W&#176;V&#247;           > D8 57 B0 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000263D26CF080, 16 bytes long.
 Data: <P &#176;V&#247;           > 50 04 B0 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000263D26CEC20, 16 bytes long.
 Data: <0 &#176;V&#247;           > 30 04 B0 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000263D26CEE50, 16 bytes long.
 Data: <&#224; &#176;V&#247;           > E0 02 B0 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000263D26CF300, 16 bytes long.
 Data: <  &#176;V&#247;           > 10 04 B0 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000263D26CE9F0, 16 bytes long.
 Data: <p &#176;V&#247;           > 70 04 B0 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000263D26CF030, 16 bytes long.
 Data: < &#192;&#174;V&#247;           > 18 C0 AE 56 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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