Task 38646666

Name test_769-GPUGRID_TEST_ATM_1000_20261023-0-1-RND2542_0
Workunit 31591606
Created 23 Oct 2026, 16:43:40 UTC
Sent 23 Oct 2026, 17:57:11 UTC
Report deadline 28 Oct 2026, 17:57:11 UTC
Received 23 Oct 2026, 19:03:11 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 620057
Run time 44 min 44 sec
CPU time 43 min 37 sec
Validate state Valid
Credit 1,000.00
Device peak FLOPS 5,156.89 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 663.02 MB
Peak swap size 5.22 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
21:19:06 (11624): wrapper (7.9.26016): starting
21:19:06 (11624): 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
21:19:08 (11624): Library/usr/bin/tar.exe exited; CPU time 0.000000
21:19:08 (11624): 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\0\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\0\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
22:02:36 (11624): C:/Windows/system32/cmd.exe exited; CPU time 2617.125000
22:02:36 (11624): 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: 39002675 bytes.
Dumping objects ->
{3835181} normal block at 0x0000019D940E1780, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835170} normal block at 0x0000019D940E1A20, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835159} normal block at 0x0000019D940E1860, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835148} normal block at 0x0000019D940E17F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835137} normal block at 0x0000019D940E1A90, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835106} normal block at 0x0000019D95C0AE00, 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) : {3835093} normal block at 0x0000019D940DA750, 8 bytes long.
 Data: <  &#159;&#149;    > 00 00 9F 95 9D 01 00 00 
{3833945} normal block at 0x0000019D940DA480, 8 bytes long.
 Data: <&#192;&#191; &#148;    > C0 BF 0C 94 9D 01 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x0000019D940CECE0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000019D940DD0B0, 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 0x0000019D940E2A50, 16 bytes long.
 Data: <&#184;4 &#148;            > B8 34 0E 94 9D 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000019D940E2460, 16 bytes long.
 Data: < 4 &#148;            > 90 34 0E 94 9D 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000019D940DD940, 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 0x0000019D940E2870, 16 bytes long.
 Data: <h4 &#148;            > 68 34 0E 94 9D 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000019D940E2C30, 16 bytes long.
 Data: <@4 &#148;            > 40 34 0E 94 9D 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000019D940E2820, 16 bytes long.
 Data: < 4 &#148;            > 18 34 0E 94 9D 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000019D940E21E0, 16 bytes long.
 Data: <&#240;3 &#148;            > F0 33 0E 94 9D 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000019D940E1BE0, 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 0x0000019D940E2A00, 16 bytes long.
 Data: < &#229; &#148;            > 88 E5 0C 94 9D 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000019D940DDC40, 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 0x0000019D940E2AA0, 16 bytes long.
 Data: <`&#229; &#148;            > 60 E5 0C 94 9D 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000019D940E2050, 16 bytes long.
 Data: <8&#229; &#148;            > 38 E5 0C 94 9D 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000019D940E2190, 16 bytes long.
 Data: < &#229; &#148;            > 10 E5 0C 94 9D 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000019D940E1EC0, 16 bytes long.
 Data: <&#232;&#228; &#148;            > E8 E4 0C 94 9D 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000019D940E1E70, 16 bytes long.
 Data: <&#192;&#228; &#148;            > C0 E4 0C 94 9D 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000019D940E2500, 16 bytes long.
 Data: < &#228; &#148;            > 98 E4 0C 94 9D 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000019D940DDE80, 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 0x0000019D940E1FB0, 16 bytes long.
 Data: <p&#228; &#148;            > 70 E4 0C 94 9D 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000019D940CE470, 320 bytes long.
 Data: <&#176;  &#148;     &#222; &#148;    > B0 1F 0E 94 9D 01 00 00 80 DE 0D 94 9D 01 00 00 
{268} normal block at 0x0000019D940E23C0, 16 bytes long.
 Data: <&#208;3 &#148;            > D0 33 0E 94 9D 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000019D940E22D0, 16 bytes long.
 Data: <&#168;3 &#148;            > A8 33 0E 94 9D 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000019D940DD880, 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 0x0000019D940E2140, 16 bytes long.
 Data: < 3 &#148;            > 80 33 0E 94 9D 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000019D940DDE20, 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 0x0000019D940E20A0, 16 bytes long.
 Data: <&#200;2 &#148;            > C8 32 0E 94 9D 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000019D940E2320, 16 bytes long.
 Data: <&#160;2 &#148;            > A0 32 0E 94 9D 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000019D940E20F0, 16 bytes long.
 Data: <x2 &#148;            > 78 32 0E 94 9D 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000019D940E2780, 16 bytes long.
 Data: <P2 &#148;            > 50 32 0E 94 9D 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000019D940E2690, 16 bytes long.
 Data: <(2 &#148;            > 28 32 0E 94 9D 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000019D940E1E20, 16 bytes long.
 Data: < 2 &#148;            > 00 32 0E 94 9D 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000019D940E2000, 16 bytes long.
 Data: <   &#148;            > 10 17 0E 94 9D 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000019D940E1710, 40 bytes long.
 Data: <   &#148;     &#174;&#192;&#149;    > 00 20 0E 94 9D 01 00 00 00 AE C0 95 9D 01 00 00 
{254} normal block at 0x0000019D940E28C0, 16 bytes long.
 Data: <&#224;1 &#148;            > E0 31 0E 94 9D 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000019D940E2BE0, 16 bytes long.
 Data: <&#184;1 &#148;            > B8 31 0E 94 9D 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000019D940DDBE0, 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 0x0000019D940E2730, 16 bytes long.
 Data: < 1 &#148;            > 90 31 0E 94 9D 01 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x0000019D940E3190, 992 bytes long.
 Data: <0' &#148;    &#224;&#219; &#148;    > 30 27 0E 94 9D 01 00 00 E0 DB 0D 94 9D 01 00 00 
{86} normal block at 0x0000019D940DD460, 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 0x0000019D940DA430, 16 bytes long.
 Data: < &#171; &#148;            > 90 AB 0C 94 9D 01 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x0000019D940CAB90, 40 bytes long.
 Data: <0&#164; &#148;    `&#212; &#148;    > 30 A4 0D 94 9D 01 00 00 60 D4 0D 94 9D 01 00 00 
{63} normal block at 0x0000019D940DAC00, 16 bytes long.
 Data: < &#234; &#225;&#247;           > 80 EA 99 E1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000019D940DB060, 16 bytes long.
 Data: <@&#233; &#225;&#247;           > 40 E9 99 E1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000019D940DABB0, 16 bytes long.
 Data: <&#248;W&#150;&#225;&#247;           > F8 57 96 E1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000019D940DA3E0, 16 bytes long.
 Data: <&#216;W&#150;&#225;&#247;           > D8 57 96 E1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000019D940DAF20, 16 bytes long.
 Data: <P &#150;&#225;&#247;           > 50 04 96 E1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000019D940DAE30, 16 bytes long.
 Data: <0 &#150;&#225;&#247;           > 30 04 96 E1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000019D940DACA0, 16 bytes long.
 Data: <&#224; &#150;&#225;&#247;           > E0 02 96 E1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000019D940DAED0, 16 bytes long.
 Data: <  &#150;&#225;&#247;           > 10 04 96 E1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000019D940DA8E0, 16 bytes long.
 Data: <p &#150;&#225;&#247;           > 70 04 96 E1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000019D940DA250, 16 bytes long.
 Data: < &#192;&#148;&#225;&#247;           > 18 C0 94 E1 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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