Task 38700015

Name test_19-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND5085_0
Workunit 31640354
Created 6 Nov 2026, 13:38:29 UTC
Sent 6 Nov 2026, 13:38:32 UTC
Report deadline 11 Nov 2026, 13:38:32 UTC
Received 6 Nov 2026, 14:56:24 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 596137
Run time 1 hours 16 min 19 sec
CPU time 1 hours 11 min 19 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 15,670.82 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 699.86 MB
Peak swap size 3.87 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
14:41:09 (6080): wrapper (7.9.26016): starting
14:41:09 (6080): 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
14:41:13 (6080): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:41:13 (6080): 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
15:55:28 (6080): C:/Windows/system32/cmd.exe exited; CPU time 4279.859375
15:55:28 (6080): 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: 54630177 bytes.
Dumping objects ->
{3835420} normal block at 0x00000205380EA5E0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835409} normal block at 0x00000205380E9C40, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835398} normal block at 0x00000205380E9EE0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835387} normal block at 0x00000205380EA260, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835376} normal block at 0x000002053650CDB0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835345} normal block at 0x000002053804D960, 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) : {3835332} normal block at 0x0000020536508630, 8 bytes long.
 Data: <  N6    > 00 00 4E 36 05 02 00 00 
{3833953} normal block at 0x0000020536508090, 8 bytes long.
 Data: <Pr&#253;7    > 50 72 FD 37 05 02 00 00 
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000020536512A00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000205364F6180, 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 0x0000020536513EF0, 16 bytes long.
 Data: <8LQ6            > 38 4C 51 36 05 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000020536513EA0, 16 bytes long.
 Data: < LQ6            > 10 4C 51 36 05 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000002053650E880, 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 0x0000020536514300, 16 bytes long.
 Data: <&#232;KQ6            > E8 4B 51 36 05 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020536513B30, 16 bytes long.
 Data: <&#192;KQ6            > C0 4B 51 36 05 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020536513AE0, 16 bytes long.
 Data: < KQ6            > 98 4B 51 36 05 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020536513A40, 16 bytes long.
 Data: <pKQ6            > 70 4B 51 36 05 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000002053650CF00, 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 0x00000205365148A0, 16 bytes long.
 Data: <8&#221;P6            > 38 DD 50 36 05 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002053650E6A0, 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 0x0000020536514080, 16 bytes long.
 Data: < &#221;P6            > 10 DD 50 36 05 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020536514850, 16 bytes long.
 Data: <&#232;&#220;P6            > E8 DC 50 36 05 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020536513E50, 16 bytes long.
 Data: <&#192;&#220;P6            > C0 DC 50 36 05 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020536514800, 16 bytes long.
 Data: < &#220;P6            > 98 DC 50 36 05 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000205365139A0, 16 bytes long.
 Data: <p&#220;P6            > 70 DC 50 36 05 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020536513B80, 16 bytes long.
 Data: <H&#220;P6            > 48 DC 50 36 05 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002053650DEC0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{274} normal block at 0x0000020536514490, 16 bytes long.
 Data: < &#220;P6            > 20 DC 50 36 05 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002053650DC20, 320 bytes long.
 Data: < DQ6    &#192;&#222;P6    > 90 44 51 36 05 02 00 00 C0 DE 50 36 05 02 00 00 
{272} normal block at 0x00000205365146C0, 16 bytes long.
 Data: <PKQ6            > 50 4B 51 36 05 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000205365147B0, 16 bytes long.
 Data: <(KQ6            > 28 4B 51 36 05 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000002053650E8E0, 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 0x0000020536513D10, 16 bytes long.
 Data: < KQ6            > 00 4B 51 36 05 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000002053650EA00, 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 0x00000205365145D0, 16 bytes long.
 Data: <HJQ6            > 48 4A 51 36 05 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000020536514440, 16 bytes long.
 Data: < JQ6            > 20 4A 51 36 05 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020536513E00, 16 bytes long.
 Data: <&#248;IQ6            > F8 49 51 36 05 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020536514670, 16 bytes long.
 Data: <&#208;IQ6            > D0 49 51 36 05 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020536514210, 16 bytes long.
 Data: <&#168;IQ6            > A8 49 51 36 05 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020536513CC0, 16 bytes long.
 Data: < IQ6            > 80 49 51 36 05 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020536513BD0, 16 bytes long.
 Data: <&#240;&#203;P6            > F0 CB 50 36 05 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002053650CBF0, 40 bytes long.
 Data: <&#208;;Q6    `&#217; 8    > D0 3B 51 36 05 02 00 00 60 D9 04 38 05 02 00 00 
{258} normal block at 0x0000020536513A90, 16 bytes long.
 Data: <`IQ6            > 60 49 51 36 05 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000020536513DB0, 16 bytes long.
 Data: <8IQ6            > 38 49 51 36 05 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002053650DE60, 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 0x00000205365139F0, 16 bytes long.
 Data: < IQ6            > 10 49 51 36 05 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000020536514910, 992 bytes long.
 Data: <&#240;9Q6    `&#222;P6    > F0 39 51 36 05 02 00 00 60 DE 50 36 05 02 00 00 
{90} normal block at 0x000002053650ED00, 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 0x00000205365085E0, 16 bytes long.
 Data: < &#206;P6            > 20 CE 50 36 05 02 00 00 00 00 00 00 00 00 00 00 
{88} normal block at 0x000002053650CE20, 40 bytes long.
 Data: <&#224;&#133;P6     &#237;P6    > E0 85 50 36 05 02 00 00 00 ED 50 36 05 02 00 00 
{67} normal block at 0x00000205365083B0, 16 bytes long.
 Data: < &#234;&#139;&#223;&#246;           > 80 EA 8B DF F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000020536507BE0, 16 bytes long.
 Data: <@&#233;&#139;&#223;&#246;           > 40 E9 8B DF F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020536507CD0, 16 bytes long.
 Data: <&#248;W &#223;&#246;           > F8 57 88 DF F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020536508900, 16 bytes long.
 Data: <&#216;W &#223;&#246;           > D8 57 88 DF F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020536507F50, 16 bytes long.
 Data: <P  &#223;&#246;           > 50 04 88 DF F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020536508720, 16 bytes long.
 Data: <0  &#223;&#246;           > 30 04 88 DF F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000205365088B0, 16 bytes long.
 Data: <&#224;  &#223;&#246;           > E0 02 88 DF F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000020536507F00, 16 bytes long.
 Data: <   &#223;&#246;           > 10 04 88 DF F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000020536508040, 16 bytes long.
 Data: <p  &#223;&#246;           > 70 04 88 DF F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000020536507FF0, 16 bytes long.
 Data: < &#192;&#134;&#223;&#246;           > 18 C0 86 DF F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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