Task 38661658

Name test_948-GPUGRID_TEST_ATM_40STEP_20261023-6-40-RND7981_1
Workunit 31604502
Created 24 Oct 2026, 16:05:40 UTC
Sent 24 Oct 2026, 16:12:43 UTC
Report deadline 29 Oct 2026, 16:12:43 UTC
Received 24 Oct 2026, 19:12:33 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 494803
Run time 29 min 12 sec
CPU time 27 min
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,067.36 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 674.39 MB
Peak swap size 3.80 GB
Peak disk usage 4.16 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:51:25 (4456): wrapper (7.9.26016): starting
18:51:25 (4456): 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
18:51:26 (4456): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:51:26 (4456): 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 'E:\BOINC\slots\1\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 'E:\BOINC\slots\1\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
19:19:35 (4456): C:/Windows/system32/cmd.exe exited; CPU time 1620.578125
19:19:35 (4456): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 29283443 bytes.
Dumping objects ->
{3835522} normal block at 0x000001EE5EBA6950, 48 bytes long.
 Data: <PATH=E:\BOINC\sl> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835511} normal block at 0x000001EE60636210, 32 bytes long.
 Data: <HOME=E:\BOINC\sl> 48 4F 4D 45 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835500} normal block at 0x000001EE60636330, 32 bytes long.
 Data: <TMP=E:\BOINC\slo> 54 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835489} normal block at 0x000001EE606361B0, 32 bytes long.
 Data: <TEMP=E:\BOINC\sl> 54 45 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835478} normal block at 0x000001EE60636390, 32 bytes long.
 Data: <TMPDIR=E:\BOINC\> 54 4D 50 44 49 52 3D 45 3A 5C 42 4F 49 4E 43 5C 
{3835447} normal block at 0x000001EE5EBA6CD0, 48 bytes long.
 Data: <PATH=E:\BOINC\sl> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 
..\api\boinc_api.cpp(309) : {3835434} normal block at 0x000001EE5EB771A0, 8 bytes long.
 Data: <  &#174;^&#238;   > 00 00 AE 5E EE 01 00 00 
{3833955} normal block at 0x000001EE5EB77240, 8 bytes long.
 Data: <&#208;&#232;O`&#238;   > D0 E8 4F 60 EE 01 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x000001EE5EB81730, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x000001EE5EB7CDF0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x000001EE5EB832B0, 16 bytes long.
 Data: <(<&#184;^&#238;           > 28 3C B8 5E EE 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001EE5EB83210, 16 bytes long.
 Data: < <&#184;^&#238;           > 00 3C B8 5E EE 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x000001EE5EB7BCD0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x000001EE5EB82EF0, 16 bytes long.
 Data: <&#216;;&#184;^&#238;           > D8 3B B8 5E EE 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001EE5EB82C70, 16 bytes long.
 Data: <&#176;;&#184;^&#238;           > B0 3B B8 5E EE 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001EE5EB83120, 16 bytes long.
 Data: < ;&#184;^&#238;           > 88 3B B8 5E EE 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001EE5EB82C20, 16 bytes long.
 Data: <`;&#184;^&#238;           > 60 3B B8 5E EE 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001EE5EB7D560, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x000001EE5EB82EA0, 16 bytes long.
 Data: <&#216;^&#182;^&#238;           > D8 5E B6 5E EE 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001EE5EB7C4B0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x000001EE5EB82A40, 16 bytes long.
 Data: <&#176;^&#182;^&#238;           > B0 5E B6 5E EE 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001EE5EB830D0, 16 bytes long.
 Data: < ^&#182;^&#238;           > 88 5E B6 5E EE 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001EE5EB83080, 16 bytes long.
 Data: <`^&#182;^&#238;           > 60 5E B6 5E EE 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001EE5EB825E0, 16 bytes long.
 Data: <8^&#182;^&#238;           > 38 5E B6 5E EE 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001EE5EB82E00, 16 bytes long.
 Data: < ^&#182;^&#238;           > 10 5E B6 5E EE 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001EE5EB82720, 16 bytes long.
 Data: <&#232;]&#182;^&#238;           > E8 5D B6 5E EE 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001EE5EB7B970, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x000001EE5EB82A90, 16 bytes long.
 Data: <&#192;]&#182;^&#238;           > C0 5D B6 5E EE 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001EE5EB65DC0, 320 bytes long.
 Data: < *&#184;^&#238;   p&#185;&#183;^&#238;   > 90 2A B8 5E EE 01 00 00 70 B9 B7 5E EE 01 00 00 
{273} normal block at 0x000001EE5EB82F90, 16 bytes long.
 Data: <@;&#184;^&#238;           > 40 3B B8 5E EE 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001EE5EB82D60, 16 bytes long.
 Data: < ;&#184;^&#238;           > 18 3B B8 5E EE 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000001EE5EB7B910, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x000001EE5EB83260, 16 bytes long.
 Data: <&#240;:&#184;^&#238;           > F0 3A B8 5E EE 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001EE5EB7C030, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x000001EE5EB82590, 16 bytes long.
 Data: <8:&#184;^&#238;           > 38 3A B8 5E EE 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001EE5EB82CC0, 16 bytes long.
 Data: < :&#184;^&#238;           > 10 3A B8 5E EE 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001EE5EB829A0, 16 bytes long.
 Data: <&#232;9&#184;^&#238;           > E8 39 B8 5E EE 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001EE5EB831C0, 16 bytes long.
 Data: <&#192;9&#184;^&#238;           > C0 39 B8 5E EE 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001EE5EB82BD0, 16 bytes long.
 Data: < 9&#184;^&#238;           > 98 39 B8 5E EE 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001EE5EB82540, 16 bytes long.
 Data: <p9&#184;^&#238;           > 70 39 B8 5E EE 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001EE5EB83350, 16 bytes long.
 Data: < &#216;&#183;^&#238;           > 00 D8 B7 5E EE 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000001EE5EB7D800, 40 bytes long.
 Data: <P3&#184;^&#238;   &#208;l&#186;^&#238;   > 50 33 B8 5E EE 01 00 00 D0 6C BA 5E EE 01 00 00 
{259} normal block at 0x000001EE5EB82950, 16 bytes long.
 Data: <P9&#184;^&#238;           > 50 39 B8 5E EE 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001EE5EB82900, 16 bytes long.
 Data: <(9&#184;^&#238;           > 28 39 B8 5E EE 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x000001EE5EB7BA30, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x000001EE5EB83490, 16 bytes long.
 Data: < 9&#184;^&#238;           > 00 39 B8 5E EE 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001EE5EB83900, 992 bytes long.
 Data: < 4&#184;^&#238;   0&#186;&#183;^&#238;   > 90 34 B8 5E EE 01 00 00 30 BA B7 5E EE 01 00 00 
{91} normal block at 0x000001EE5EB7B850, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x000001EE5EB76890, 16 bytes long.
 Data: < &#215;&#183;^&#238;           > 20 D7 B7 5E EE 01 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x000001EE5EB7D720, 40 bytes long.
 Data: < h&#183;^&#238;   P&#184;&#183;^&#238;   > 90 68 B7 5E EE 01 00 00 50 B8 B7 5E EE 01 00 00 
{68} normal block at 0x000001EE5EB770B0, 16 bytes long.
 Data: < &#234; &#225;&#246;           > 80 EA 0D E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001EE5EB76840, 16 bytes long.
 Data: <@&#233; &#225;&#246;           > 40 E9 0D E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001EE5EB77060, 16 bytes long.
 Data: <&#248;W &#225;&#246;           > F8 57 0A E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001EE5EB76CF0, 16 bytes long.
 Data: <&#216;W &#225;&#246;           > D8 57 0A E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001EE5EB76AC0, 16 bytes long.
 Data: <P  &#225;&#246;           > 50 04 0A E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001EE5EB77100, 16 bytes long.
 Data: <0  &#225;&#246;           > 30 04 0A E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001EE5EB77010, 16 bytes long.
 Data: <&#224;  &#225;&#246;           > E0 02 0A E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001EE5EB774C0, 16 bytes long.
 Data: <   &#225;&#246;           > 10 04 0A E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001EE5EB76A70, 16 bytes long.
 Data: <p  &#225;&#246;           > 70 04 0A E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001EE5EB76F70, 16 bytes long.
 Data: < &#192; &#225;&#246;           > 18 C0 08 E1 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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