Task 38688080

Name test_349-GPUGRID_TEST_ATM_40STEP_20261023-24-40-RND8978_0
Workunit 31629449
Created 28 Oct 2026, 11:29:13 UTC
Sent 28 Oct 2026, 11:29:19 UTC
Report deadline 2 Nov 2026, 11:29:19 UTC
Received 28 Oct 2026, 14:11:04 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 629236
Run time 1 hours 26 min 20 sec
CPU time 1 hours 18 min 18 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 13,386.28 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 685.70 MB
Peak swap size 5.35 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
13:43:07 (16832): wrapper (7.9.26016): starting
13:43:07 (16832): 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
13:43:09 (16832): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:43:09 (16832): 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\2\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\2\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: Exiting with failure status due to previous errors
15:07:20 (16832): C:/Windows/system32/cmd.exe exited; CPU time 4698.312500
15:07:20 (16832): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 89518552 bytes.
Dumping objects ->
{3835279} normal block at 0x0000020A55BA0920, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835268} normal block at 0x0000020A55BA0AE0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835257} normal block at 0x0000020A55BA0840, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835246} normal block at 0x0000020A55BA1410, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835235} normal block at 0x0000020A55BA0CA0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835204} normal block at 0x0000020A55CBAE70, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835193} normal block at 0x0000020A55CBC000, 85 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) : {3835190} normal block at 0x0000020A54136600, 8 bytes long.
 Data: <  &#187;U    > 00 00 BB 55 0A 02 00 00 
{3834561} normal block at 0x0000020A55CBCC80, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833951} normal block at 0x0000020A54136EC0, 8 bytes long.
 Data: <&#192;	&#206;U    > C0 09 CE 55 0A 02 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000020A54141190, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000020A5413C1D0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{291} normal block at 0x0000020A54142C70, 16 bytes long.
 Data: <&#200;7 T            > C8 37 14 54 0A 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020A54142A90, 16 bytes long.
 Data: <&#160;7 T            > A0 37 14 54 0A 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000020A5413C7E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{288} normal block at 0x0000020A54142A40, 16 bytes long.
 Data: <x7 T            > 78 37 14 54 0A 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020A54142360, 16 bytes long.
 Data: <P7 T            > 50 37 14 54 0A 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000020A54142810, 16 bytes long.
 Data: <(7 T            > 28 37 14 54 0A 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020A54142C20, 16 bytes long.
 Data: < 7 T            > 00 37 14 54 0A 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020A5413B340, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{283} normal block at 0x0000020A54142310, 16 bytes long.
 Data: <h&#193; T            > 68 C1 13 54 0A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020A5413CA80, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{281} normal block at 0x0000020A541429F0, 16 bytes long.
 Data: <@&#193; T            > 40 C1 13 54 0A 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000020A541426D0, 16 bytes long.
 Data: < &#193; T            > 18 C1 13 54 0A 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000020A541421D0, 16 bytes long.
 Data: <&#240;&#192; T            > F0 C0 13 54 0A 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020A54142F90, 16 bytes long.
 Data: <&#200;&#192; T            > C8 C0 13 54 0A 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020A54142400, 16 bytes long.
 Data: <&#160;&#192; T            > A0 C0 13 54 0A 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020A54142BD0, 16 bytes long.
 Data: <x&#192; T            > 78 C0 13 54 0A 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020A5413C720, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{273} normal block at 0x0000020A54142590, 16 bytes long.
 Data: <P&#192; T            > 50 C0 13 54 0A 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020A5413C050, 320 bytes long.
 Data: < % T     &#199; T    > 90 25 14 54 0A 02 00 00 20 C7 13 54 0A 02 00 00 
{271} normal block at 0x0000020A54142680, 16 bytes long.
 Data: <&#224;6 T            > E0 36 14 54 0A 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020A54142540, 16 bytes long.
 Data: <&#184;6 T            > B8 36 14 54 0A 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000020A5413CF00, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{268} normal block at 0x0000020A54142900, 16 bytes long.
 Data: < 6 T            > 90 36 14 54 0A 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020A5413C6C0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{266} normal block at 0x0000020A54142770, 16 bytes long.
 Data: <&#216;5 T            > D8 35 14 54 0A 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020A54142B80, 16 bytes long.
 Data: <&#176;5 T            > B0 35 14 54 0A 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000020A54142F40, 16 bytes long.
 Data: < 5 T            > 88 35 14 54 0A 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020A54142B30, 16 bytes long.
 Data: <`5 T            > 60 35 14 54 0A 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020A54142220, 16 bytes long.
 Data: <85 T            > 38 35 14 54 0A 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020A54142720, 16 bytes long.
 Data: < 5 T            > 10 35 14 54 0A 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000020A54142180, 16 bytes long.
 Data: <&#208;&#178; T            > D0 B2 13 54 0A 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000020A5413B2D0, 40 bytes long.
 Data: < ! T    p&#174;&#203;U    > 80 21 14 54 0A 02 00 00 70 AE CB 55 0A 02 00 00 
{257} normal block at 0x0000020A54142950, 16 bytes long.
 Data: <&#240;4 T            > F0 34 14 54 0A 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000020A541428B0, 16 bytes long.
 Data: <&#200;4 T            > C8 34 14 54 0A 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000020A5413D380, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{254} normal block at 0x0000020A54142630, 16 bytes long.
 Data: <&#160;4 T            > A0 34 14 54 0A 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000020A541434A0, 992 bytes long.
 Data: <0& T     &#211; T    > 30 26 14 54 0A 02 00 00 80 D3 13 54 0A 02 00 00 
{89} normal block at 0x0000020A5413C660, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{88} normal block at 0x0000020A541366F0, 16 bytes long.
 Data: <&#192;&#175; T            > C0 AF 13 54 0A 02 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x0000020A5413AFC0, 40 bytes long.
 Data: <&#240;f T    `&#198; T    > F0 66 13 54 0A 02 00 00 60 C6 13 54 0A 02 00 00 
{66} normal block at 0x0000020A54136D80, 16 bytes long.
 Data: < &#234; &#177;&#247;           > 80 EA 9D B1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000020A54136B00, 16 bytes long.
 Data: <@&#233; &#177;&#247;           > 40 E9 9D B1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000020A54136E20, 16 bytes long.
 Data: <&#248;W&#154;&#177;&#247;           > F8 57 9A B1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000020A541365B0, 16 bytes long.
 Data: <&#216;W&#154;&#177;&#247;           > D8 57 9A B1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000020A54136BF0, 16 bytes long.
 Data: <P &#154;&#177;&#247;           > 50 04 9A B1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000020A541364C0, 16 bytes long.
 Data: <0 &#154;&#177;&#247;           > 30 04 9A B1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000020A54136AB0, 16 bytes long.
 Data: <&#224; &#154;&#177;&#247;           > E0 02 9A B1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000020A54136BA0, 16 bytes long.
 Data: <  &#154;&#177;&#247;           > 10 04 9A B1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000020A54136F60, 16 bytes long.
 Data: <p &#154;&#177;&#247;           > 70 04 9A B1 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000020A54136470, 16 bytes long.
 Data: < &#192; &#177;&#247;           > 18 C0 98 B1 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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