Task 38687900

Name test_747-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND7757_0
Workunit 31629271
Created 28 Oct 2026, 10:26:30 UTC
Sent 28 Oct 2026, 10:26:38 UTC
Report deadline 2 Nov 2026, 10:26:38 UTC
Received 28 Oct 2026, 11:18:24 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 517637
Run time 46 min 51 sec
CPU time 46 min 51 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,030.17 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 712.40 MB
Peak swap size 9.74 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
11:29:35 (32148): wrapper (7.9.26016): starting
11:29:35 (32148): 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
11:29:37 (32148): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:29:37 (32148): 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\22\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\22\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
12:17:15 (32148): C:/Windows/system32/cmd.exe exited; CPU time 2811.578125
12:17:15 (32148): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 49260871 bytes.
Dumping objects ->
{3835363} normal block at 0x000001C6E419B360, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835352} normal block at 0x000001C6E419AFE0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835341} normal block at 0x000001C6E4174A40, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835330} normal block at 0x000001C6E41749D0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835319} normal block at 0x000001C6E4174D50, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835288} normal block at 0x000001C6E5E27440, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835277} normal block at 0x000001C6E5E786B0, 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) : {3835274} normal block at 0x000001C6E416EEF0, 8 bytes long.
 Data: <   &#228;&#198;   > 00 00 11 E4 C6 01 00 00 
{3834606} normal block at 0x000001C6E5E78FA0, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833965} normal block at 0x000001C6E416F440, 8 bytes long.
 Data: <`J&#235;&#229;&#198;   > 60 4A EB E5 C6 01 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000001C6E41714B0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x000001C6E4166980, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x000001C6E4175720, 16 bytes long.
 Data: <&#200;h &#228;&#198;           > C8 68 17 E4 C6 01 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001C6E41756D0, 16 bytes long.
 Data: <&#160;h &#228;&#198;           > A0 68 17 E4 C6 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x000001C6E416FBC0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x000001C6E41763A0, 16 bytes long.
 Data: <xh &#228;&#198;           > 78 68 17 E4 C6 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001C6E4175680, 16 bytes long.
 Data: <Ph &#228;&#198;           > 50 68 17 E4 C6 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001C6E4176350, 16 bytes long.
 Data: <(h &#228;&#198;           > 28 68 17 E4 C6 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001C6E4176030, 16 bytes long.
 Data: < h &#228;&#198;           > 00 68 17 E4 C6 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001C6E4174AB0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x000001C6E4175B80, 16 bytes long.
 Data: < &#232; &#228;&#198;           > 08 E8 16 E4 C6 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001C6E4170460, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x000001C6E41755E0, 16 bytes long.
 Data: <&#224;&#231; &#228;&#198;           > E0 E7 16 E4 C6 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001C6E4176210, 16 bytes long.
 Data: <&#184;&#231; &#228;&#198;           > B8 E7 16 E4 C6 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001C6E4175FE0, 16 bytes long.
 Data: < &#231; &#228;&#198;           > 90 E7 16 E4 C6 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001C6E4175F90, 16 bytes long.
 Data: <h&#231; &#228;&#198;           > 68 E7 16 E4 C6 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001C6E4175630, 16 bytes long.
 Data: <@&#231; &#228;&#198;           > 40 E7 16 E4 C6 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001C6E41761C0, 16 bytes long.
 Data: < &#231; &#228;&#198;           > 18 E7 16 E4 C6 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001C6E4170940, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x000001C6E41759F0, 16 bytes long.
 Data: <&#240;&#230; &#228;&#198;           > F0 E6 16 E4 C6 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001C6E416E6F0, 320 bytes long.
 Data: <&#240;Y &#228;&#198;   @	 &#228;&#198;   > F0 59 17 E4 C6 01 00 00 40 09 17 E4 C6 01 00 00 
{278} normal block at 0x000001C6E4175EA0, 16 bytes long.
 Data: <&#224;g &#228;&#198;           > E0 67 17 E4 C6 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001C6E4175F40, 16 bytes long.
 Data: <&#184;g &#228;&#198;           > B8 67 17 E4 C6 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001C6E4170280, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x000001C6E4176170, 16 bytes long.
 Data: < g &#228;&#198;           > 90 67 17 E4 C6 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001C6E416FE60, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x000001C6E41763F0, 16 bytes long.
 Data: <&#216;f &#228;&#198;           > D8 66 17 E4 C6 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001C6E4176260, 16 bytes long.
 Data: <&#176;f &#228;&#198;           > B0 66 17 E4 C6 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001C6E4176300, 16 bytes long.
 Data: < f &#228;&#198;           > 88 66 17 E4 C6 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001C6E41764E0, 16 bytes long.
 Data: <`f &#228;&#198;           > 60 66 17 E4 C6 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001C6E4175EF0, 16 bytes long.
 Data: <8f &#228;&#198;           > 38 66 17 E4 C6 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001C6E4175E50, 16 bytes long.
 Data: < f &#228;&#198;           > 10 66 17 E4 C6 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001C6E4175B30, 16 bytes long.
 Data: <0N &#228;&#198;           > 30 4E 17 E4 C6 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001C6E4174E30, 40 bytes long.
 Data: <0[ &#228;&#198;   @t&#226;&#229;&#198;   > 30 5B 17 E4 C6 01 00 00 40 74 E2 E5 C6 01 00 00 
{264} normal block at 0x000001C6E4176530, 16 bytes long.
 Data: <&#240;e &#228;&#198;           > F0 65 17 E4 C6 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001C6E4176490, 16 bytes long.
 Data: <&#200;e &#228;&#198;           > C8 65 17 E4 C6 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001C6E4170760, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x000001C6E4175E00, 16 bytes long.
 Data: <&#160;e &#228;&#198;           > A0 65 17 E4 C6 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001C6E41765A0, 992 bytes long.
 Data: < ^ &#228;&#198;   `  &#228;&#198;   > 00 5E 17 E4 C6 01 00 00 60 07 17 E4 C6 01 00 00 
{96} normal block at 0x000001C6E41706A0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x000001C6E416EDB0, 16 bytes long.
 Data: <&#224;&#240; &#228;&#198;           > E0 F0 15 E4 C6 01 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x000001C6E415F0E0, 40 bytes long.
 Data: <&#176;&#237; &#228;&#198;   &#160;  &#228;&#198;   > B0 ED 16 E4 C6 01 00 00 A0 06 17 E4 C6 01 00 00 
{73} normal block at 0x000001C6E416F7B0, 16 bytes long.
 Data: < &#234;&#217;*&#246;           > 80 EA D9 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x000001C6E416F3F0, 16 bytes long.
 Data: <@&#233;&#217;*&#246;           > 40 E9 D9 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x000001C6E416F210, 16 bytes long.
 Data: <&#248;W&#214;*&#246;           > F8 57 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001C6E416F620, 16 bytes long.
 Data: <&#216;W&#214;*&#246;           > D8 57 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001C6E416EBD0, 16 bytes long.
 Data: <P &#214;*&#246;           > 50 04 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001C6E416EA90, 16 bytes long.
 Data: <0 &#214;*&#246;           > 30 04 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001C6E416ECC0, 16 bytes long.
 Data: <&#224; &#214;*&#246;           > E0 02 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001C6E416EF90, 16 bytes long.
 Data: <  &#214;*&#246;           > 10 04 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001C6E416F580, 16 bytes long.
 Data: <p &#214;*&#246;           > 70 04 D6 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001C6E416F8A0, 16 bytes long.
 Data: < &#192;&#212;*&#246;           > 18 C0 D4 2A F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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