Task 38678118

Name test_456-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND7311_2
Workunit 31619805
Created 26 Oct 2026, 16:26:12 UTC
Sent 26 Oct 2026, 16:26:17 UTC
Report deadline 31 Oct 2026, 16:26:17 UTC
Received 26 Oct 2026, 16:57:10 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 628937
Run time 29 min 57 sec
CPU time 27 min 19 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,738.02 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 727.03 MB
Peak swap size 6.88 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
16:27:35 (16920): wrapper (7.9.26016): starting
16:27:35 (16920): 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
16:27:36 (16920): Library/usr/bin/tar.exe exited; CPU time 0.015625
16:27:36 (16920): 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\12\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\12\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
16:56:26 (16920): C:/Windows/system32/cmd.exe exited; CPU time 1639.500000
16:56:26 (16920): 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: 26733135 bytes.
Dumping objects ->
{3835306} normal block at 0x000002030BFE32F0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835295} normal block at 0x000002030A204BB0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835284} normal block at 0x000002030A204AD0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835273} normal block at 0x000002030A2046E0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835262} normal block at 0x000002030A2049F0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835231} normal block at 0x000002030BF57500, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835220} normal block at 0x000002030BF6F180, 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) : {3835217} normal block at 0x000002030A1FF660, 8 bytes long.
 Data: <  f     > 00 00 66 0A 03 02 00 00 
{3834571} normal block at 0x000002030BF6EB50, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x000002030A1FF7A0, 8 bytes long.
 Data: < &#161;"     > 10 A1 22 0A 03 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000002030A200670, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000002030A1F6990, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000002030A2053F0, 16 bytes long.
 Data: <8f              > 38 66 20 0A 03 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000002030A205B20, 16 bytes long.
 Data: < f              > 10 66 20 0A 03 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000002030A1FEDD0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000002030A205A30, 16 bytes long.
 Data: <&#232;e              > E8 65 20 0A 03 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002030A205940, 16 bytes long.
 Data: <&#192;e              > C0 65 20 0A 03 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002030A2053A0, 16 bytes long.
 Data: < e              > 98 65 20 0A 03 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000002030A205990, 16 bytes long.
 Data: <pe              > 70 65 20 0A 03 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002030A204750, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000002030A2057B0, 16 bytes long.
 Data: <&#168;               > A8 8F 1F 0A 03 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002030A1FED70, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000002030A205530, 16 bytes long.
 Data: <                > 80 8F 1F 0A 03 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002030A205490, 16 bytes long.
 Data: <X               > 58 8F 1F 0A 03 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002030A2061B0, 16 bytes long.
 Data: <0               > 30 8F 1F 0A 03 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000002030A205850, 16 bytes long.
 Data: <                > 08 8F 1F 0A 03 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002030A206160, 16 bytes long.
 Data: <&#224;&#142;              > E0 8E 1F 0A 03 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000002030A2056C0, 16 bytes long.
 Data: <&#184;&#142;              > B8 8E 1F 0A 03 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000002030A1FEFB0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000002030A205760, 16 bytes long.
 Data: < &#142;              > 90 8E 1F 0A 03 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002030A1F8E90, 320 bytes long.
 Data: <`W      &#176;&#239;      > 60 57 20 0A 03 02 00 00 B0 EF 1F 0A 03 02 00 00 
{274} normal block at 0x000002030A205440, 16 bytes long.
 Data: <Pe              > 50 65 20 0A 03 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002030A2059E0, 16 bytes long.
 Data: <(e              > 28 65 20 0A 03 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002030A1FE710, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000002030A205AD0, 16 bytes long.
 Data: < e              > 00 65 20 0A 03 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002030A1FE8F0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000002030A205D50, 16 bytes long.
 Data: <Hd              > 48 64 20 0A 03 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002030A205350, 16 bytes long.
 Data: < d              > 20 64 20 0A 03 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002030A2062A0, 16 bytes long.
 Data: <&#248;c              > F8 63 20 0A 03 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002030A206200, 16 bytes long.
 Data: <&#208;c              > D0 63 20 0A 03 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000002030A205620, 16 bytes long.
 Data: <&#168;c              > A8 63 20 0A 03 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002030A205580, 16 bytes long.
 Data: < c              > 80 63 20 0A 03 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002030A206250, 16 bytes long.
 Data: <0H              > 30 48 20 0A 03 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002030A204830, 40 bytes long.
 Data: <Pb       u&#245;     > 50 62 20 0A 03 02 00 00 00 75 F5 0B 03 02 00 00 
{260} normal block at 0x000002030A205670, 16 bytes long.
 Data: <`c              > 60 63 20 0A 03 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002030A205FD0, 16 bytes long.
 Data: <8c              > 38 63 20 0A 03 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002030A1FEB30, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000002030A2055D0, 16 bytes long.
 Data: < c              > 10 63 20 0A 03 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002030A206310, 992 bytes long.
 Data: <&#208;U      0&#235;      > D0 55 20 0A 03 02 00 00 30 EB 1F 0A 03 02 00 00 
{92} normal block at 0x000002030A1FEC50, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000002030A200240, 16 bytes long.
 Data: <@&#199;              > 40 C7 1E 0A 03 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000002030A1EC740, 40 bytes long.
 Data: <@       P&#236;      > 40 02 20 0A 03 02 00 00 50 EC 1F 0A 03 02 00 00 
{69} normal block at 0x000002030A200060, 16 bytes long.
 Data: < &#234;&#222;&#201;&#246;           > 80 EA DE C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000002030A1FFF20, 16 bytes long.
 Data: <@&#233;&#222;&#201;&#246;           > 40 E9 DE C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000002030A2001F0, 16 bytes long.
 Data: <&#248;W&#219;&#201;&#246;           > F8 57 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000002030A1FF9D0, 16 bytes long.
 Data: <&#216;W&#219;&#201;&#246;           > D8 57 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000002030A2005B0, 16 bytes long.
 Data: <P &#219;&#201;&#246;           > 50 04 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000002030A2000B0, 16 bytes long.
 Data: <0 &#219;&#201;&#246;           > 30 04 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000002030A2002E0, 16 bytes long.
 Data: <&#224; &#219;&#201;&#246;           > E0 02 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002030A1FF890, 16 bytes long.
 Data: <  &#219;&#201;&#246;           > 10 04 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002030A1FFE30, 16 bytes long.
 Data: <p &#219;&#201;&#246;           > 70 04 DB C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002030A2004C0, 16 bytes long.
 Data: < &#192;&#217;&#201;&#246;           > 18 C0 D9 C9 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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