Task 38667264

Name test_840-GPUGRID_TEST_ATM_40STEP_20261023-7-40-RND8755_0
Workunit 31609920
Created 25 Oct 2026, 7:07:02 UTC
Sent 25 Oct 2026, 7:07:12 UTC
Report deadline 30 Oct 2026, 7:07:12 UTC
Received 25 Oct 2026, 7:53:04 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 649780
Run time 38 min 14 sec
CPU time 36 min 16 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 11,999.78 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 700.02 MB
Peak swap size 9.85 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
03:15:28 (20408): wrapper (7.9.26016): starting
03:15:28 (20408): 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
03:15:29 (20408): Library/usr/bin/tar.exe exited; CPU time 0.000000
03:15:29 (20408): 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\4\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\4\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
03:52:47 (20408): C:/Windows/system32/cmd.exe exited; CPU time 2176.593750
03:52:47 (20408): 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: 34379475 bytes.
Dumping objects ->
{3835479} normal block at 0x000001738C0B48F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835468} normal block at 0x000001738C0B4730, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835457} normal block at 0x000001738C0B4C70, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835446} normal block at 0x000001738C0B4A40, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835435} normal block at 0x000001738C0B4B20, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835404} normal block at 0x000001738DCF6EE0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835393} normal block at 0x000001738DD0DB70, 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) : {3835390} normal block at 0x000001738C0AF950, 8 bytes long.
 Data: <  &#225; s   > 00 00 E1 8D 73 01 00 00 
{3834663} normal block at 0x000001738DD0E300, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833953} normal block at 0x000001738C0AF7C0, 8 bytes long.
 Data: <p.&#216; s   > 70 2E D8 8D 73 01 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x000001738C0B06E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001738C0A62C0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{292} normal block at 0x000001738C0B6190, 16 bytes long.
 Data: <&#168;U &#140;s           > A8 55 0B 8C 73 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001738C0B5CE0, 16 bytes long.
 Data: < U &#140;s           > 80 55 0B 8C 73 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001738C0AEFC0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{289} normal block at 0x000001738C0B5790, 16 bytes long.
 Data: <XU &#140;s           > 58 55 0B 8C 73 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001738C0B65F0, 16 bytes long.
 Data: <0U &#140;s           > 30 55 0B 8C 73 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001738C0B5B50, 16 bytes long.
 Data: < U &#140;s           > 08 55 0B 8C 73 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001738C0B5A10, 16 bytes long.
 Data: <&#224;T &#140;s           > E0 54 0B 8C 73 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001738C0B4AB0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{284} normal block at 0x000001738C0B5BA0, 16 bytes long.
 Data: <X&#241;	&#140;s           > 58 F1 09 8C 73 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001738C0AF1A0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{282} normal block at 0x000001738C0B61E0, 16 bytes long.
 Data: <0&#241;	&#140;s           > 30 F1 09 8C 73 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001738C0B6140, 16 bytes long.
 Data: < &#241;	&#140;s           > 08 F1 09 8C 73 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001738C0B5830, 16 bytes long.
 Data: <&#224;&#240;	&#140;s           > E0 F0 09 8C 73 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001738C0B5FB0, 16 bytes long.
 Data: <&#184;&#240;	&#140;s           > B8 F0 09 8C 73 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001738C0B5E70, 16 bytes long.
 Data: < &#240;	&#140;s           > 90 F0 09 8C 73 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001738C0B5E20, 16 bytes long.
 Data: <h&#240;	&#140;s           > 68 F0 09 8C 73 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001738C0AEE40, 32 bytes long.
 Data: <CUDA_DEVICE=1 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 31 00 50 55 
{274} normal block at 0x000001738C0B5740, 16 bytes long.
 Data: <@&#240;	&#140;s           > 40 F0 09 8C 73 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001738C09F040, 320 bytes long.
 Data: <@W &#140;s   @&#238; &#140;s   > 40 57 0B 8C 73 01 00 00 40 EE 0A 8C 73 01 00 00 
{272} normal block at 0x000001738C0B60F0, 16 bytes long.
 Data: <&#192;T &#140;s           > C0 54 0B 8C 73 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001738C0B64B0, 16 bytes long.
 Data: < T &#140;s           > 98 54 0B 8C 73 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001738C0AEB40, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{269} normal block at 0x000001738C0B65A0, 16 bytes long.
 Data: <pT &#140;s           > 70 54 0B 8C 73 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001738C0AE9C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{267} normal block at 0x000001738C0B5970, 16 bytes long.
 Data: <&#184;S &#140;s           > B8 53 0B 8C 73 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001738C0B56F0, 16 bytes long.
 Data: < S &#140;s           > 90 53 0B 8C 73 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001738C0B5DD0, 16 bytes long.
 Data: <hS &#140;s           > 68 53 0B 8C 73 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001738C0B62D0, 16 bytes long.
 Data: <@S &#140;s           > 40 53 0B 8C 73 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001738C0AFAE0, 16 bytes long.
 Data: < S &#140;s           > 18 53 0B 8C 73 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001738C0AF9A0, 16 bytes long.
 Data: <&#240;R &#140;s           > F0 52 0B 8C 73 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001738C0AF900, 16 bytes long.
 Data: <&#192;F &#140;s           > C0 46 0B 8C 73 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001738C0B46C0, 40 bytes long.
 Data: < &#249; &#140;s   &#224;n&#207; s   > 00 F9 0A 8C 73 01 00 00 E0 6E CF 8D 73 01 00 00 
{258} normal block at 0x000001738C0AF860, 16 bytes long.
 Data: <&#208;R &#140;s           > D0 52 0B 8C 73 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001738C0AFCC0, 16 bytes long.
 Data: <&#168;R &#140;s           > A8 52 0B 8C 73 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001738C0AE300, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{255} normal block at 0x000001738C0AF4F0, 16 bytes long.
 Data: < R &#140;s           > 80 52 0B 8C 73 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x000001738C0B5280, 992 bytes long.
 Data: <&#240;&#244; &#140;s    &#227; &#140;s   > F0 F4 0A 8C 73 01 00 00 00 E3 0A 8C 73 01 00 00 
{90} normal block at 0x000001738C0AE6C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{89} normal block at 0x000001738C0AFDB0, 16 bytes long.
 Data: <P&#192;	&#140;s           > 50 C0 09 8C 73 01 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x000001738C09C050, 40 bytes long.
 Data: <&#176;&#253; &#140;s   &#192;&#230; &#140;s   > B0 FD 0A 8C 73 01 00 00 C0 E6 0A 8C 73 01 00 00 
{67} normal block at 0x000001738C0AFD60, 16 bytes long.
 Data: < &#234;&#238;&#173;&#246;           > 80 EA EE AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001738C0AFEF0, 16 bytes long.
 Data: <@&#233;&#238;&#173;&#246;           > 40 E9 EE AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001738C0AF6D0, 16 bytes long.
 Data: <&#248;W&#235;&#173;&#246;           > F8 57 EB AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001738C0AFA90, 16 bytes long.
 Data: <&#216;W&#235;&#173;&#246;           > D8 57 EB AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001738C0AF360, 16 bytes long.
 Data: <P &#235;&#173;&#246;           > 50 04 EB AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001738C0AF9F0, 16 bytes long.
 Data: <0 &#235;&#173;&#246;           > 30 04 EB AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001738C0B0030, 16 bytes long.
 Data: <&#224; &#235;&#173;&#246;           > E0 02 EB AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001738C0AF720, 16 bytes long.
 Data: <  &#235;&#173;&#246;           > 10 04 EB AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001738C0AFC70, 16 bytes long.
 Data: <p &#235;&#173;&#246;           > 70 04 EB AD F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001738C0AFE50, 16 bytes long.
 Data: < &#192;&#233;&#173;&#246;           > 18 C0 E9 AD F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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