Task 38683461

Name test_387-GPUGRID_TEST_ATM_40STEP_20261023-22-40-RND2858_0
Workunit 31625016
Created 27 Oct 2026, 11:54:46 UTC
Sent 27 Oct 2026, 11:54:51 UTC
Report deadline 1 Nov 2026, 11:54:51 UTC
Received 27 Oct 2026, 14:57:19 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 652006
Run time 1 hours 4 min 30 sec
CPU time 1 hours 4 min
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,302.18 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 730.43 MB
Peak swap size 12.89 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
06:53:11 (15400): wrapper (7.9.26016): starting
06:53:11 (15400): 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
06:53:13 (15400): Library/usr/bin/tar.exe exited; CPU time 0.015625
06:53:13 (15400): 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\26\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\26\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
07:56:32 (15400): C:/Windows/system32/cmd.exe exited; CPU time 3840.046875
07:56:32 (15400): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 54149172 bytes.
Dumping objects ->
{3835270} normal block at 0x00000286CC0A0AE0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835259} normal block at 0x00000286CC0A1640, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835248} normal block at 0x00000286CC0A0D80, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835237} normal block at 0x00000286CC0A11E0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835226} normal block at 0x00000286CC0A0A00, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835195} normal block at 0x00000286CC14BD00, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835184} normal block at 0x00000286CC0A41A0, 85 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) : {3835181} normal block at 0x00000286CA5662E0, 8 bytes long.
 Data: <  &#236;&#203;&#134;   > 00 00 EC CB 86 02 00 00 
{3834558} normal block at 0x00000286CC0A4D80, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833951} normal block at 0x00000286CA566B50, 8 bytes long.
 Data: < l &#204;&#134;   > 80 6C 1A CC 86 02 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x00000286CA570440, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000286CA55B1B0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x00000286CA571D40, 16 bytes long.
 Data: <x;W&#202;&#134;           > 78 3B 57 CA 86 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000286CA571840, 16 bytes long.
 Data: <P;W&#202;&#134;           > 50 3B 57 CA 86 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000286CA56CDE0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x00000286CA571FC0, 16 bytes long.
 Data: <(;W&#202;&#134;           > 28 3B 57 CA 86 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000286CA571CA0, 16 bytes long.
 Data: < ;W&#202;&#134;           > 00 3B 57 CA 86 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000286CA5717A0, 16 bytes long.
 Data: <&#216;:W&#202;&#134;           > D8 3A 57 CA 86 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000286CA572100, 16 bytes long.
 Data: <&#176;:W&#202;&#134;           > B0 3A 57 CA 86 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000286CA56B050, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x00000286CA571A70, 16 bytes long.
 Data: <X&#195;V&#202;&#134;           > 58 C3 56 CA 86 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000286CA56C900, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x00000286CA571A20, 16 bytes long.
 Data: <0&#195;V&#202;&#134;           > 30 C3 56 CA 86 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000286CA571660, 16 bytes long.
 Data: < &#195;V&#202;&#134;           > 08 C3 56 CA 86 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000286CA571CF0, 16 bytes long.
 Data: <&#224;&#194;V&#202;&#134;           > E0 C2 56 CA 86 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000286CA571ED0, 16 bytes long.
 Data: <&#184;&#194;V&#202;&#134;           > B8 C2 56 CA 86 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000286CA571610, 16 bytes long.
 Data: < &#194;V&#202;&#134;           > 90 C2 56 CA 86 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000286CA571E80, 16 bytes long.
 Data: <h&#194;V&#202;&#134;           > 68 C2 56 CA 86 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000286CA56C8A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x00000286CA571D90, 16 bytes long.
 Data: <@&#194;V&#202;&#134;           > 40 C2 56 CA 86 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000286CA56C240, 320 bytes long.
 Data: <  W&#202;&#134;   &#160;&#200;V&#202;&#134;   > 90 1D 57 CA 86 02 00 00 A0 C8 56 CA 86 02 00 00 
{271} normal block at 0x00000286CA571E30, 16 bytes long.
 Data: < :W&#202;&#134;           > 90 3A 57 CA 86 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000286CA5717F0, 16 bytes long.
 Data: <h:W&#202;&#134;           > 68 3A 57 CA 86 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000286CA56D200, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x00000286CA571C50, 16 bytes long.
 Data: <@:W&#202;&#134;           > 40 3A 57 CA 86 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000286CA56CEA0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x00000286CA572150, 16 bytes long.
 Data: < 9W&#202;&#134;           > 88 39 57 CA 86 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000286CA571DE0, 16 bytes long.
 Data: <`9W&#202;&#134;           > 60 39 57 CA 86 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000286CA571F70, 16 bytes long.
 Data: <89W&#202;&#134;           > 38 39 57 CA 86 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000286CA571570, 16 bytes long.
 Data: < 9W&#202;&#134;           > 10 39 57 CA 86 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000286CA571C00, 16 bytes long.
 Data: <&#232;8W&#202;&#134;           > E8 38 57 CA 86 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000286CA571750, 16 bytes long.
 Data: <&#192;8W&#202;&#134;           > C0 38 57 CA 86 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000286CA571BB0, 16 bytes long.
 Data: <&#160;&#177;V&#202;&#134;           > A0 B1 56 CA 86 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000286CA56B1A0, 40 bytes long.
 Data: <&#176; W&#202;&#134;    &#189; &#204;&#134;   > B0 1B 57 CA 86 02 00 00 00 BD 14 CC 86 02 00 00 
{257} normal block at 0x00000286CA572290, 16 bytes long.
 Data: <&#160;8W&#202;&#134;           > A0 38 57 CA 86 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000286CA5719D0, 16 bytes long.
 Data: <x8W&#202;&#134;           > 78 38 57 CA 86 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000286CA56CAE0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x00000286CA571700, 16 bytes long.
 Data: <P8W&#202;&#134;           > 50 38 57 CA 86 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x00000286CA573850, 992 bytes long.
 Data: <  W&#202;&#134;   &#224;&#202;V&#202;&#134;   > 00 17 57 CA 86 02 00 00 E0 CA 56 CA 86 02 00 00 
{89} normal block at 0x00000286CA56C6C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x00000286CA566380, 16 bytes long.
 Data: < &#174;V&#202;&#134;           > 20 AE 56 CA 86 02 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x00000286CA56AE20, 40 bytes long.
 Data: < cV&#202;&#134;   &#192;&#198;V&#202;&#134;   > 80 63 56 CA 86 02 00 00 C0 C6 56 CA 86 02 00 00 
{66} normal block at 0x00000286CA566AB0, 16 bytes long.
 Data: < &#234;L7&#246;           > 80 EA 4C 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000286CA566A60, 16 bytes long.
 Data: <@&#233;L7&#246;           > 40 E9 4C 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000286CA566510, 16 bytes long.
 Data: <&#248;WI7&#246;           > F8 57 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000286CA5661F0, 16 bytes long.
 Data: <&#216;WI7&#246;           > D8 57 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000286CA566920, 16 bytes long.
 Data: <P I7&#246;           > 50 04 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000286CA5664C0, 16 bytes long.
 Data: <0 I7&#246;           > 30 04 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000286CA566060, 16 bytes long.
 Data: <&#224; I7&#246;           > E0 02 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000286CA566740, 16 bytes long.
 Data: <  I7&#246;           > 10 04 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x00000286CA5668D0, 16 bytes long.
 Data: <p I7&#246;           > 70 04 49 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x00000286CA566010, 16 bytes long.
 Data: < &#192;G7&#246;           > 18 C0 47 37 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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