Task 38688258

Name test_615-GPUGRID_TEST_ATM_40STEP_20261023-37-40-RND3410_0
Workunit 31629618
Created 28 Oct 2026, 12:42:29 UTC
Sent 28 Oct 2026, 12:42:32 UTC
Report deadline 2 Nov 2026, 12:42:32 UTC
Received 28 Oct 2026, 15:53:50 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 653795
Run time 1 hours 10 min 9 sec
CPU time 1 hours 6 min 46 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,071.14 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 676.87 MB
Peak swap size 3.76 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:43:40 (15700): wrapper (7.9.26016): starting
09:43:40 (15700): 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
09:43:41 (15700): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:43:41 (15700): 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
10:53:24 (15700): C:/Windows/system32/cmd.exe exited; CPU time 4006.125000
10:53:24 (15700): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 bytes in 6 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: 49909893 bytes.
Dumping objects ->
{3835176} normal block at 0x000001DC0F027460, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835165} normal block at 0x000001DC0F0275B0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835154} normal block at 0x000001DC0F027310, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835143} normal block at 0x000001DC0F027B60, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835132} normal block at 0x000001DC0F027070, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835101} normal block at 0x000001DC10C740A0, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835088} normal block at 0x000001DC0EFF8990, 8 bytes long.
 Data: <  &#252; &#220;   > 00 00 FC 0E DC 01 00 00 
{3833945} normal block at 0x000001DC0EFF8C60, 8 bytes long.
 Data: <&#176;&#134;&#204; &#220;   > B0 86 CC 10 DC 01 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000001DC0F002D40, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001DC0EFE5BC0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x000001DC0F004190, 16 bytes long.
 Data: <8N  &#220;           > 38 4E 00 0F DC 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001DC0F003CE0, 16 bytes long.
 Data: < N  &#220;           > 10 4E 00 0F DC 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001DC0EFFE7E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x000001DC0F003C90, 16 bytes long.
 Data: <&#232;M  &#220;           > E8 4D 00 0F DC 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001DC0F004370, 16 bytes long.
 Data: <&#192;M  &#220;           > C0 4D 00 0F DC 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000001DC0F003EC0, 16 bytes long.
 Data: < M  &#220;           > 98 4D 00 0F DC 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001DC0F004280, 16 bytes long.
 Data: <pM  &#220;           > 70 4D 00 0F DC 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001DC0EFFD640, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x000001DC0F004410, 16 bytes long.
 Data: <X[&#254; &#220;           > 58 5B FE 0E DC 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001DC0EFFEDE0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x000001DC0F003E20, 16 bytes long.
 Data: <0[&#254; &#220;           > 30 5B FE 0E DC 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001DC0F0045A0, 16 bytes long.
 Data: < [&#254; &#220;           > 08 5B FE 0E DC 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001DC0F004550, 16 bytes long.
 Data: <&#224;Z&#254; &#220;           > E0 5A FE 0E DC 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001DC0F003BA0, 16 bytes long.
 Data: <&#184;Z&#254; &#220;           > B8 5A FE 0E DC 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001DC0F003DD0, 16 bytes long.
 Data: < Z&#254; &#220;           > 90 5A FE 0E DC 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001DC0F003D30, 16 bytes long.
 Data: <hZ&#254; &#220;           > 68 5A FE 0E DC 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001DC0EFFF500, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x000001DC0F004460, 16 bytes long.
 Data: <@Z&#254; &#220;           > 40 5A FE 0E DC 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001DC0EFE5A40, 320 bytes long.
 Data: <`D  &#220;    &#245;&#255; &#220;   > 60 44 00 0F DC 01 00 00 00 F5 FF 0E DC 01 00 00 
{268} normal block at 0x000001DC0F003F60, 16 bytes long.
 Data: <PM  &#220;           > 50 4D 00 0F DC 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001DC0F0048C0, 16 bytes long.
 Data: <(M  &#220;           > 28 4D 00 0F DC 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001DC0EFFF380, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x000001DC0F004910, 16 bytes long.
 Data: < M  &#220;           > 00 4D 00 0F DC 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001DC0EFFF320, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x000001DC0F004A50, 16 bytes long.
 Data: <HL  &#220;           > 48 4C 00 0F DC 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001DC0F004230, 16 bytes long.
 Data: < L  &#220;           > 20 4C 00 0F DC 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001DC0F0046E0, 16 bytes long.
 Data: <&#248;K  &#220;           > F8 4B 00 0F DC 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001DC0F004A00, 16 bytes long.
 Data: <&#208;K  &#220;           > D0 4B 00 0F DC 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001DC0F003C40, 16 bytes long.
 Data: <&#168;K  &#220;           > A8 4B 00 0F DC 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001DC0F0044B0, 16 bytes long.
 Data: < K  &#220;           > 80 4B 00 0F DC 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001DC0F004000, 16 bytes long.
 Data: <p&#216;&#255; &#220;           > 70 D8 FF 0E DC 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001DC0EFFD870, 40 bytes long.
 Data: < @  &#220;   &#160;@&#199; &#220;   > 00 40 00 0F DC 01 00 00 A0 40 C7 10 DC 01 00 00 
{254} normal block at 0x000001DC0F003FB0, 16 bytes long.
 Data: <`K  &#220;           > 60 4B 00 0F DC 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001DC0F004320, 16 bytes long.
 Data: <8K  &#220;           > 38 4B 00 0F DC 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000001DC0EFFF3E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x000001DC0F0049B0, 16 bytes long.
 Data: < K  &#220;           > 10 4B 00 0F DC 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000001DC0F004B10, 992 bytes long.
 Data: <&#176;I  &#220;   &#224;&#243;&#255; &#220;   > B0 49 00 0F DC 01 00 00 E0 F3 FF 0E DC 01 00 00 
{86} normal block at 0x000001DC0EFFF620, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x000001DC0EFF8E90, 16 bytes long.
 Data: <&#240;&#212;&#255; &#220;           > F0 D4 FF 0E DC 01 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000001DC0EFFD4F0, 40 bytes long.
 Data: < &#142;&#255; &#220;    &#246;&#255; &#220;   > 90 8E FF 0E DC 01 00 00 20 F6 FF 0E DC 01 00 00 
{63} normal block at 0x000001DC0EFF8A80, 16 bytes long.
 Data: < &#234; U&#246;           > 80 EA 00 55 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001DC0EFF88F0, 16 bytes long.
 Data: <@&#233; U&#246;           > 40 E9 00 55 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001DC0EFF87B0, 16 bytes long.
 Data: <&#248;W&#253;T&#246;           > F8 57 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001DC0EFF88A0, 16 bytes long.
 Data: <&#216;W&#253;T&#246;           > D8 57 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001DC0EFF95C0, 16 bytes long.
 Data: <P &#253;T&#246;           > 50 04 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001DC0EFF94D0, 16 bytes long.
 Data: <0 &#253;T&#246;           > 30 04 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001DC0EFF92A0, 16 bytes long.
 Data: <&#224; &#253;T&#246;           > E0 02 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000001DC0EFF8C10, 16 bytes long.
 Data: <  &#253;T&#246;           > 10 04 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000001DC0EFF8800, 16 bytes long.
 Data: <p &#253;T&#246;           > 70 04 FD 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000001DC0EFF8F30, 16 bytes long.
 Data: < &#192;&#251;T&#246;           > 18 C0 FB 54 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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