Task 38690306

Name test_43-GPUGRID_TEST_ATM_40STEP_20261023-27-40-RND1355_1
Workunit 31624185
Created 29 Oct 2026, 4:02:51 UTC
Sent 29 Oct 2026, 4:02:55 UTC
Report deadline 3 Nov 2026, 4:02:55 UTC
Received 29 Oct 2026, 4:43:09 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 613630
Run time 15 min 29 sec
CPU time 12 min 4 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 106,061.87 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 738.40 MB
Peak swap size 7.22 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:27:48 (18556): wrapper (7.9.26016): starting
21:27:48 (18556): 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
21:27:49 (18556): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:27:49 (18556): 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\8\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\8\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
21:42:32 (18556): C:/Windows/system32/cmd.exe exited; CPU time 724.953125
21:42:32 (18556): called boinc_finish(0)
0 bytes in 0 Free Blocks.
566 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: 12443809 bytes.
Dumping objects ->
{3835569} normal block at 0x000001A09A774B30, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835558} normal block at 0x000001A09A774AC0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835547} normal block at 0x000001A09A7749E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835536} normal block at 0x000001A09A774900, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835525} normal block at 0x000001A09A774820, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835494} normal block at 0x000001A09C2C53C0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835483} normal block at 0x000001A09C325730, 155 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) : {3835480} normal block at 0x000001A09A76E860, 8 bytes long.
 Data: <  &#192;&#154;&#160;   > 00 00 C0 9A A0 01 00 00 
{3834699} normal block at 0x000001A09C325D50, 155 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x000001A09A76EE50, 8 bytes long.
 Data: <&#192;&#217;u&#154;&#160;   > C0 D9 75 9A A0 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x000001A09A770A10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x000001A09A75E7E0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x000001A09A775CB0, 16 bytes long.
 Data: <8fw&#154;&#160;           > 38 66 77 9A A0 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001A09A775620, 16 bytes long.
 Data: < fw&#154;&#160;           > 10 66 77 9A A0 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001A09A76FB40, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x000001A09A7754E0, 16 bytes long.
 Data: <&#232;ew&#154;&#160;           > E8 65 77 9A A0 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001A09A775990, 16 bytes long.
 Data: <&#192;ew&#154;&#160;           > C0 65 77 9A A0 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001A09A7761B0, 16 bytes long.
 Data: < ew&#154;&#160;           > 98 65 77 9A A0 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001A09A775C10, 16 bytes long.
 Data: <pew&#154;&#160;           > 70 65 77 9A A0 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001A09A774C10, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x000001A09A775530, 16 bytes long.
 Data: <X&#134;v&#154;&#160;           > 58 86 76 9A A0 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001A09A76F360, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x000001A09A7757B0, 16 bytes long.
 Data: <0&#134;v&#154;&#160;           > 30 86 76 9A A0 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001A09A775940, 16 bytes long.
 Data: < &#134;v&#154;&#160;           > 08 86 76 9A A0 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001A09A775B70, 16 bytes long.
 Data: <&#224;&#133;v&#154;&#160;           > E0 85 76 9A A0 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001A09A775FD0, 16 bytes long.
 Data: <&#184;&#133;v&#154;&#160;           > B8 85 76 9A A0 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001A09A775DA0, 16 bytes long.
 Data: < &#133;v&#154;&#160;           > 90 85 76 9A A0 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001A09A775AD0, 16 bytes long.
 Data: <h&#133;v&#154;&#160;           > 68 85 76 9A A0 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001A09A76F900, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x000001A09A775F80, 16 bytes long.
 Data: <@&#133;v&#154;&#160;           > 40 85 76 9A A0 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001A09A768540, 320 bytes long.
 Data: < _w&#154;&#160;    &#249;v&#154;&#160;   > 80 5F 77 9A A0 01 00 00 00 F9 76 9A A0 01 00 00 
{276} normal block at 0x000001A09A775C60, 16 bytes long.
 Data: <Pew&#154;&#160;           > 50 65 77 9A A0 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001A09A7758F0, 16 bytes long.
 Data: <(ew&#154;&#160;           > 28 65 77 9A A0 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001A09A76F600, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x000001A09A775580, 16 bytes long.
 Data: < ew&#154;&#160;           > 00 65 77 9A A0 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001A09A76F840, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x000001A09A7758A0, 16 bytes long.
 Data: <Hdw&#154;&#160;           > 48 64 77 9A A0 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001A09A775440, 16 bytes long.
 Data: < dw&#154;&#160;           > 20 64 77 9A A0 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001A09A775760, 16 bytes long.
 Data: <&#248;cw&#154;&#160;           > F8 63 77 9A A0 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001A09A776020, 16 bytes long.
 Data: <&#208;cw&#154;&#160;           > D0 63 77 9A A0 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001A09A7755D0, 16 bytes long.
 Data: <&#168;cw&#154;&#160;           > A8 63 77 9A A0 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001A09A775850, 16 bytes long.
 Data: < cw&#154;&#160;           > 80 63 77 9A A0 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001A09A775A80, 16 bytes long.
 Data: <&#208;Mw&#154;&#160;           > D0 4D 77 9A A0 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001A09A774DD0, 40 bytes long.
 Data: < Zw&#154;&#160;   &#192;S,&#156;&#160;   > 80 5A 77 9A A0 01 00 00 C0 53 2C 9C A0 01 00 00 
{262} normal block at 0x000001A09A775F30, 16 bytes long.
 Data: <`cw&#154;&#160;           > 60 63 77 9A A0 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001A09A776200, 16 bytes long.
 Data: <8cw&#154;&#160;           > 38 63 77 9A A0 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001A09A76FD20, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x000001A09A7762A0, 16 bytes long.
 Data: < cw&#154;&#160;           > 10 63 77 9A A0 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001A09A776310, 992 bytes long.
 Data: <&#160;bw&#154;&#160;    &#253;v&#154;&#160;   > A0 62 77 9A A0 01 00 00 20 FD 76 9A A0 01 00 00 
{94} normal block at 0x000001A09A76FE40, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x000001A09A76EE00, 16 bytes long.
 Data: <&#240;&#255;u&#154;&#160;           > F0 FF 75 9A A0 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001A09A75FFF0, 40 bytes long.
 Data: < &#238;v&#154;&#160;   @&#254;v&#154;&#160;   > 00 EE 76 9A A0 01 00 00 40 FE 76 9A A0 01 00 00 
{71} normal block at 0x000001A09A76E5E0, 16 bytes long.
 Data: < &#234;&#192;A&#247;           > 80 EA C0 41 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x000001A09A76E090, 16 bytes long.
 Data: <@&#233;&#192;A&#247;           > 40 E9 C0 41 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x000001A09A76ED60, 16 bytes long.
 Data: <&#248;W&#189;A&#247;           > F8 57 BD 41 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001A09A76ED10, 16 bytes long.
 Data: <&#216;W&#189;A&#247;           > D8 57 BD 41 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001A09A76ECC0, 16 bytes long.
 Data: <P &#189;A&#247;           > 50 04 BD 41 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001A09A76E4F0, 16 bytes long.
 Data: <0 &#189;A&#247;           > 30 04 BD 41 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001A09A76E630, 16 bytes long.
 Data: <&#224; &#189;A&#247;           > E0 02 BD 41 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001A09A76E6D0, 16 bytes long.
 Data: <  &#189;A&#247;           > 10 04 BD 41 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001A09A76EC70, 16 bytes long.
 Data: <p &#189;A&#247;           > 70 04 BD 41 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001A09A76E8B0, 16 bytes long.
 Data: < &#192;&#187;A&#247;           > 18 C0 BB 41 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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