Task 38686961

Name test_949-GPUGRID_TEST_ATM_40STEP_20261023-30-40-RND8305_0
Workunit 31628367
Created 28 Oct 2026, 5:17:06 UTC
Sent 28 Oct 2026, 5:17:11 UTC
Report deadline 2 Nov 2026, 5:17:11 UTC
Received 28 Oct 2026, 7:19:04 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 650754
Run time 56 min 44 sec
CPU time 56 min 29 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 700.91 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>
06:20:29 (6192): wrapper (7.9.26016): starting
06:20:29 (6192): 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
06:20:30 (6192): Library/usr/bin/tar.exe exited; CPU time 0.000000
06:20:30 (6192): 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
07:16:25 (6192): C:/Windows/system32/cmd.exe exited; CPU time 3389.484375
07:16:25 (6192): 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: 39452831 bytes.
Dumping objects ->
{3835233} normal block at 0x0000020811CA6FD0, 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 0x0000020813991D50, 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 0x00000208139917B0, 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 0x0000020813992650, 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 0x0000020813992530, 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 0x0000020811CA6A90, 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 0x0000020811C79D00, 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 0x0000020811C77F40, 8 bytes long.
 Data: <  &#189;     > 00 00 BD 11 08 02 00 00 
{3834547} normal block at 0x0000020811C7A580, 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 0x0000020811C775E0, 8 bytes long.
 Data: <P&#170;&#198;     > 50 AA C6 11 08 02 00 00 
..\zip\boinc_zip.cpp(122) : {305} normal block at 0x0000020811C821C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000020811C6D0A0, 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 0x0000020811C83BB0, 16 bytes long.
 Data: <&#248;C&#200;             > F8 43 C8 11 08 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000020811C83C00, 16 bytes long.
 Data: <&#208;C&#200;             > D0 43 C8 11 08 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000020811C7E9F0, 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 0x0000020811C83B60, 16 bytes long.
 Data: <&#168;C&#200;             > A8 43 C8 11 08 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000020811C83D40, 16 bytes long.
 Data: < C&#200;             > 80 43 C8 11 08 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000020811C83B10, 16 bytes long.
 Data: <XC&#200;             > 58 43 C8 11 08 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000020811C83A70, 16 bytes long.
 Data: <0C&#200;             > 30 43 C8 11 08 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000020811C7C690, 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 0x0000020811C83890, 16 bytes long.
 Data: <H&#208;&#199;             > 48 D0 C7 11 08 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000020811C7E690, 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 0x0000020811C839D0, 16 bytes long.
 Data: < &#208;&#199;             > 20 D0 C7 11 08 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000020811C83E30, 16 bytes long.
 Data: <&#248;&#207;&#199;             > F8 CF C7 11 08 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000020811C832A0, 16 bytes long.
 Data: <&#208;&#207;&#199;             > D0 CF C7 11 08 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000020811C831B0, 16 bytes long.
 Data: <&#168;&#207;&#199;             > A8 CF C7 11 08 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000020811C83A20, 16 bytes long.
 Data: < &#207;&#199;             > 80 CF C7 11 08 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000020811C83F20, 16 bytes long.
 Data: <X&#207;&#199;             > 58 CF C7 11 08 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000020811C7E450, 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 0x0000020811C83980, 16 bytes long.
 Data: <0&#207;&#199;             > 30 CF C7 11 08 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000020811C7CF30, 320 bytes long.
 Data: < 9&#200;     P&#228;&#199;     > 80 39 C8 11 08 02 00 00 50 E4 C7 11 08 02 00 00 
{269} normal block at 0x0000020811C83FC0, 16 bytes long.
 Data: < C&#200;             > 10 43 C8 11 08 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000020811C83AC0, 16 bytes long.
 Data: <&#232;B&#200;             > E8 42 C8 11 08 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000020811C7ED50, 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 0x0000020811C83110, 16 bytes long.
 Data: <&#192;B&#200;             > C0 42 C8 11 08 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000020811C7EA50, 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 0x0000020811C83840, 16 bytes long.
 Data: < B&#200;             > 08 42 C8 11 08 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000020811C837F0, 16 bytes long.
 Data: <&#224;A&#200;             > E0 41 C8 11 08 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000020811C83200, 16 bytes long.
 Data: <&#184;A&#200;             > B8 41 C8 11 08 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000020811C83700, 16 bytes long.
 Data: < A&#200;             > 90 41 C8 11 08 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000020811C83D90, 16 bytes long.
 Data: <hA&#200;             > 68 41 C8 11 08 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000020811C83ED0, 16 bytes long.
 Data: <@A&#200;             > 40 41 C8 11 08 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000020811C83750, 16 bytes long.
 Data: < &#195;&#199;             > 80 C3 C7 11 08 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x0000020811C7C380, 40 bytes long.
 Data: <P7&#200;      j&#202;     > 50 37 C8 11 08 02 00 00 90 6A CA 11 08 02 00 00 
{255} normal block at 0x0000020811C836B0, 16 bytes long.
 Data: < A&#200;             > 20 41 C8 11 08 02 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000020811C83930, 16 bytes long.
 Data: <&#248;@&#200;             > F8 40 C8 11 08 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x0000020811C7EBD0, 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 0x0000020811C83610, 16 bytes long.
 Data: <&#208;@&#200;             > D0 40 C8 11 08 02 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000020811C840D0, 992 bytes long.
 Data: < 6&#200;     &#208;&#235;&#199;     > 10 36 C8 11 08 02 00 00 D0 EB C7 11 08 02 00 00 
{87} normal block at 0x0000020811C7EB10, 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 0x0000020811C77A90, 16 bytes long.
 Data: <@&#197;&#199;             > 40 C5 C7 11 08 02 00 00 00 00 00 00 00 00 00 00 
{85} normal block at 0x0000020811C7C540, 40 bytes long.
 Data: < z&#199;      &#235;&#199;     > 90 7A C7 11 08 02 00 00 10 EB C7 11 08 02 00 00 
{64} normal block at 0x0000020811C77A40, 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 0x0000020811C77EF0, 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 0x0000020811C77E50, 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 0x0000020811C771D0, 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 0x0000020811C77C20, 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 0x0000020811C774A0, 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 0x0000020811C77310, 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 0x0000020811C77130, 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 0x0000020811C77B30, 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 0x0000020811C77EA0, 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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