Task 38680069

Name test_651-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND8236_1
Workunit 31621804
Created 26 Oct 2026, 22:42:10 UTC
Sent 26 Oct 2026, 22:42:13 UTC
Report deadline 31 Oct 2026, 22:42:13 UTC
Received 27 Oct 2026, 0:41:11 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 441672
Run time 1 hours 17 min 13 sec
CPU time 1 hours 14 min 31 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,258.43 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 695.68 MB
Peak swap size 6.70 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:24:09 (34384): wrapper (7.9.26016): starting
16:24:09 (34384): 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
16:24:11 (34384): Library/usr/bin/tar.exe exited; CPU time 0.015625
16:24:11 (34384): 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 'C:\ProgramData\BOINC\slots\10\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 'C:\ProgramData\BOINC\slots\10\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
17:40:31 (34384): C:/Windows/system32/cmd.exe exited; CPU time 4471.328125
17:40:31 (34384): called boinc_finish(0)
0 bytes in 0 Free Blocks.
646 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: 87660397 bytes.
Dumping objects ->
{3835633} normal block at 0x000002361CEAB380, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835622} normal block at 0x000002361CEAADD0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835611} normal block at 0x000002361CEAB0E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835600} normal block at 0x000002361B135D10, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835589} normal block at 0x000002361B135CA0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835558} normal block at 0x000002361CE976B0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835547} normal block at 0x000002361CEA8810, 195 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) : {3835544} normal block at 0x000002361B12E870, 8 bytes long.
 Data: <  _ 6   > 00 00 5F 1B 36 02 00 00 
{3834742} normal block at 0x000002361CEA9B10, 195 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833967} normal block at 0x000002361B12E640, 8 bytes long.
 Data: <p&#231;&#218; 6   > 70 E7 DA 1C 36 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x000002361B1323C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x000002361B126AB0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x000002361B1366C0, 16 bytes long.
 Data: < x  6           > 18 78 13 1B 36 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x000002361B136F80, 16 bytes long.
 Data: <&#240;w  6           > F0 77 13 1B 36 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000002361B130890, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x000002361B136670, 16 bytes long.
 Data: <&#200;w  6           > C8 77 13 1B 36 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002361B137390, 16 bytes long.
 Data: <&#160;w  6           > A0 77 13 1B 36 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000002361B137200, 16 bytes long.
 Data: <xw  6           > 78 77 13 1B 36 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002361B136B20, 16 bytes long.
 Data: <Pw  6           > 50 77 13 1B 36 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002361B136020, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x000002361B137340, 16 bytes long.
 Data: <x   6           > 78 01 13 1B 36 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002361B130290, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x000002361B136A30, 16 bytes long.
 Data: <P   6           > 50 01 13 1B 36 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002361B1368F0, 16 bytes long.
 Data: <(   6           > 28 01 13 1B 36 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002361B136DA0, 16 bytes long.
 Data: <    6           > 00 01 13 1B 36 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002361B1368A0, 16 bytes long.
 Data: <&#216;   6           > D8 00 13 1B 36 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002361B136580, 16 bytes long.
 Data: <&#176;   6           > B0 00 13 1B 36 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002361B136EE0, 16 bytes long.
 Data: <    6           > 88 00 13 1B 36 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002361B1304D0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x000002361B136850, 16 bytes long.
 Data: <`   6           > 60 00 13 1B 36 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002361B130060, 320 bytes long.
 Data: <Ph  6   &#208;   6   > 50 68 13 1B 36 02 00 00 D0 04 13 1B 36 02 00 00 
{279} normal block at 0x000002361B136D50, 16 bytes long.
 Data: <0w  6           > 30 77 13 1B 36 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002361B136DF0, 16 bytes long.
 Data: < w  6           > 08 77 13 1B 36 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002361B130470, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x000002361B136530, 16 bytes long.
 Data: <&#224;v  6           > E0 76 13 1B 36 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002361B130DD0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x000002361B136F30, 16 bytes long.
 Data: <(v  6           > 28 76 13 1B 36 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002361B1372A0, 16 bytes long.
 Data: < v  6           > 00 76 13 1B 36 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002361B137480, 16 bytes long.
 Data: <&#216;u  6           > D8 75 13 1B 36 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002361B136800, 16 bytes long.
 Data: <&#176;u  6           > B0 75 13 1B 36 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002361B136620, 16 bytes long.
 Data: < u  6           > 88 75 13 1B 36 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002361B1372F0, 16 bytes long.
 Data: <`u  6           > 60 75 13 1B 36 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002361B136990, 16 bytes long.
 Data: < Z  6           > 00 5A 13 1B 36 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002361B135A00, 40 bytes long.
 Data: < i  6   &#176;v&#233; 6   > 90 69 13 1B 36 02 00 00 B0 76 E9 1C 36 02 00 00 
{265} normal block at 0x000002361B136A80, 16 bytes long.
 Data: <@u  6           > 40 75 13 1B 36 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002361B137250, 16 bytes long.
 Data: < u  6           > 18 75 13 1B 36 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000002361B131130, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x000002361B136760, 16 bytes long.
 Data: <&#240;t  6           > F0 74 13 1B 36 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002361B1374F0, 992 bytes long.
 Data: <`g  6   0   6   > 60 67 13 1B 36 02 00 00 30 11 13 1B 36 02 00 00 
{97} normal block at 0x000002361B130830, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x000002361B12E050, 16 bytes long.
 Data: <pZ  6           > 70 5A 13 1B 36 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x000002361B135A70, 40 bytes long.
 Data: <P&#224;  6   0   6   > 50 E0 12 1B 36 02 00 00 30 08 13 1B 36 02 00 00 
{74} normal block at 0x000002361B12E320, 16 bytes long.
 Data: < &#234; &#227;&#246;           > 80 EA 18 E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x000002361B12E1E0, 16 bytes long.
 Data: <@&#233; &#227;&#246;           > 40 E9 18 E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000002361B12EC30, 16 bytes long.
 Data: <&#248;W &#227;&#246;           > F8 57 15 E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000002361B12E960, 16 bytes long.
 Data: <&#216;W &#227;&#246;           > D8 57 15 E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000002361B12EBE0, 16 bytes long.
 Data: <P  &#227;&#246;           > 50 04 15 E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000002361B12E5F0, 16 bytes long.
 Data: <0  &#227;&#246;           > 30 04 15 E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002361B12E280, 16 bytes long.
 Data: <&#224;  &#227;&#246;           > E0 02 15 E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002361B12EEB0, 16 bytes long.
 Data: <   &#227;&#246;           > 10 04 15 E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002361B12E230, 16 bytes long.
 Data: <p  &#227;&#246;           > 70 04 15 E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002361B12EAA0, 16 bytes long.
 Data: < &#192; &#227;&#246;           > 18 C0 13 E3 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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