Task 38688332

Name test_887-GPUGRID_TEST_ATM_40STEP_20261023-34-40-RND6111_0
Workunit 31629687
Created 28 Oct 2026, 13:11:04 UTC
Sent 28 Oct 2026, 13:11:08 UTC
Report deadline 2 Nov 2026, 13:11:08 UTC
Received 28 Oct 2026, 15:00:14 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 650754
Run time 56 min 56 sec
CPU time 56 min 41 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,332.26 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 699.75 MB
Peak swap size 9.85 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
13:55:50 (7104): wrapper (7.9.26016): starting
13:55:50 (7104): 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
13:55:51 (7104): Library/usr/bin/tar.exe exited; CPU time 0.000000
13:55:51 (7104): 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:\BOINCdata\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 'C:\BOINCdata\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
14:51:58 (7104): C:/Windows/system32/cmd.exe exited; CPU time 3401.890625
14:51:58 (7104): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 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: 40036461 bytes.
Dumping objects ->
{3835233} normal block at 0x0000017CEB266330, 48 bytes long.
 Data: <PATH=C:\BOINCdat> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 64 61 74 
{3835222} normal block at 0x0000017CED043490, 32 bytes long.
 Data: <HOME=C:\BOINCdat> 48 4F 4D 45 3D 43 3A 5C 42 4F 49 4E 43 64 61 74 
{3835211} normal block at 0x0000017CED0427D0, 32 bytes long.
 Data: <TMP=C:\BOINCdata> 54 4D 50 3D 43 3A 5C 42 4F 49 4E 43 64 61 74 61 
{3835200} normal block at 0x0000017CED042770, 32 bytes long.
 Data: <TEMP=C:\BOINCdat> 54 45 4D 50 3D 43 3A 5C 42 4F 49 4E 43 64 61 74 
{3835189} normal block at 0x0000017CED042BF0, 32 bytes long.
 Data: <TMPDIR=C:\BOINCd> 54 4D 50 44 49 52 3D 43 3A 5C 42 4F 49 4E 43 64 
{3835158} normal block at 0x0000017CEB2663A0, 48 bytes long.
 Data: <PATH=C:\BOINCdat> 50 41 54 48 3D 43 3A 5C 42 4F 49 4E 43 64 61 74 
{3835147} normal block at 0x0000017CEB239D00, 200 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) : {3835144} normal block at 0x0000017CEB236BD0, 8 bytes long.
 Data: <  !&#235;|   > 00 00 21 EB 7C 01 00 00 
{3834547} normal block at 0x0000017CEB238AF0, 200 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833947} normal block at 0x0000017CEB236680, 8 bytes long.
 Data: < U &#237;|   > 00 55 0C ED 7C 01 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x0000017CEB2413E0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000017CEB225BC0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{289} normal block at 0x0000017CEB242920, 16 bytes long.
 Data: <X7$&#235;|           > 58 37 24 EB 7C 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000017CEB243320, 16 bytes long.
 Data: <07$&#235;|           > 30 37 24 EB 7C 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000017CEB23DE60, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{286} normal block at 0x0000017CEB242A10, 16 bytes long.
 Data: < 7$&#235;|           > 08 37 24 EB 7C 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000017CEB243280, 16 bytes long.
 Data: <&#224;6$&#235;|           > E0 36 24 EB 7C 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000017CEB243190, 16 bytes long.
 Data: <&#184;6$&#235;|           > B8 36 24 EB 7C 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000017CEB242D80, 16 bytes long.
 Data: < 6$&#235;|           > 90 36 24 EB 7C 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000017CEB23E620, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{281} normal block at 0x0000017CEB242EC0, 16 bytes long.
 Data: <X["&#235;|           > 58 5B 22 EB 7C 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000017CEB23DE00, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{279} normal block at 0x0000017CEB2432D0, 16 bytes long.
 Data: <0["&#235;|           > 30 5B 22 EB 7C 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000017CEB242C40, 16 bytes long.
 Data: < ["&#235;|           > 08 5B 22 EB 7C 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000017CEB2431E0, 16 bytes long.
 Data: <&#224;Z"&#235;|           > E0 5A 22 EB 7C 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000017CEB242BA0, 16 bytes long.
 Data: <&#184;Z"&#235;|           > B8 5A 22 EB 7C 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000017CEB242AB0, 16 bytes long.
 Data: < Z"&#235;|           > 90 5A 22 EB 7C 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000017CEB243140, 16 bytes long.
 Data: <hZ"&#235;|           > 68 5A 22 EB 7C 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000017CEB23E0A0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{271} normal block at 0x0000017CEB242BF0, 16 bytes long.
 Data: <@Z"&#235;|           > 40 5A 22 EB 7C 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000017CEB225A40, 320 bytes long.
 Data: <&#240;+$&#235;|   &#160;&#224;#&#235;|   > F0 2B 24 EB 7C 01 00 00 A0 E0 23 EB 7C 01 00 00 
{269} normal block at 0x0000017CEB242510, 16 bytes long.
 Data: <p6$&#235;|           > 70 36 24 EB 7C 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000017CEB242970, 16 bytes long.
 Data: <H6$&#235;|           > 48 36 24 EB 7C 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000017CEB23D5C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{266} normal block at 0x0000017CEB242FB0, 16 bytes long.
 Data: < 6$&#235;|           > 20 36 24 EB 7C 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000017CEB23DDA0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{264} normal block at 0x0000017CEB243230, 16 bytes long.
 Data: <h5$&#235;|           > 68 35 24 EB 7C 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000017CEB242B50, 16 bytes long.
 Data: <@5$&#235;|           > 40 35 24 EB 7C 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000017CEB242D30, 16 bytes long.
 Data: < 5$&#235;|           > 18 35 24 EB 7C 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000017CEB242560, 16 bytes long.
 Data: <&#240;4$&#235;|           > F0 34 24 EB 7C 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000017CEB243370, 16 bytes long.
 Data: <&#200;4$&#235;|           > C8 34 24 EB 7C 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000017CEB2430A0, 16 bytes long.
 Data: <&#160;4$&#235;|           > A0 34 24 EB 7C 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000017CEB242F60, 16 bytes long.
 Data: <&#160;&#233;#&#235;|           > A0 E9 23 EB 7C 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000017CEB23E9A0, 40 bytes long.
 Data: <`/$&#235;|   &#160;c&&#235;|   > 60 2F 24 EB 7C 01 00 00 A0 63 26 EB 7C 01 00 00 
{255} normal block at 0x0000017CEB242DD0, 16 bytes long.
 Data: < 4$&#235;|           > 80 34 24 EB 7C 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000017CEB2424C0, 16 bytes long.
 Data: <X4$&#235;|           > 58 34 24 EB 7C 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000017CEB23D920, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{252} normal block at 0x0000017CEB242B00, 16 bytes long.
 Data: <04$&#235;|           > 30 34 24 EB 7C 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000017CEB243430, 992 bytes long.
 Data: < +$&#235;|    &#217;#&#235;|   > 00 2B 24 EB 7C 01 00 00 20 D9 23 EB 7C 01 00 00 
{87} normal block at 0x0000017CEB23DB00, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{86} normal block at 0x0000017CEB236630, 16 bytes long.
 Data: <`&#228;#&#235;|           > 60 E4 23 EB 7C 01 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x0000017CEB23E460, 40 bytes long.
 Data: <0f#&#235;|    &#219;#&#235;|   > 30 66 23 EB 7C 01 00 00 00 DB 23 EB 7C 01 00 00 
{64} normal block at 0x0000017CEB237120, 16 bytes long.
 Data: < &#234;#&#135;&#247;           > 80 EA 23 87 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000017CEB2364A0, 16 bytes long.
 Data: <@&#233;#&#135;&#247;           > 40 E9 23 87 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000017CEB236B30, 16 bytes long.
 Data: <&#248;W &#135;&#247;           > F8 57 20 87 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000017CEB237030, 16 bytes long.
 Data: <&#216;W &#135;&#247;           > D8 57 20 87 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000017CEB2369F0, 16 bytes long.
 Data: <P  &#135;&#247;           > 50 04 20 87 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000017CEB236900, 16 bytes long.
 Data: <0  &#135;&#247;           > 30 04 20 87 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000017CEB236EF0, 16 bytes long.
 Data: <&#224;  &#135;&#247;           > E0 02 20 87 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000017CEB236F90, 16 bytes long.
 Data: <   &#135;&#247;           > 10 04 20 87 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000017CEB236AE0, 16 bytes long.
 Data: <p  &#135;&#247;           > 70 04 20 87 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000017CEB236310, 16 bytes long.
 Data: < &#192; &#135;&#247;           > 18 C0 1E 87 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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