Task 38682697

Name test_724-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND8511_0
Workunit 31624294
Created 27 Oct 2026, 8:43:02 UTC
Sent 27 Oct 2026, 8:43:03 UTC
Report deadline 1 Nov 2026, 8:43:03 UTC
Received 27 Oct 2026, 9:03:11 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 650591
Run time 19 min 2 sec
CPU time 17 min 39 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 32,075.31 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 747.30 MB
Peak swap size 12.97 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:44:17 (18768): wrapper (7.9.26016): starting
09:44:17 (18768): 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
09:44:18 (18768): Library/usr/bin/tar.exe exited; CPU time 0.000000
09:44:18 (18768): 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 'G:\BOINC\DATA\slots\28\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 'G:\BOINC\DATA\slots\28\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
10:02:28 (18768): C:/Windows/system32/cmd.exe exited; CPU time 1059.640625
10:02:28 (18768): 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: 16916735 bytes.
Dumping objects ->
{3835187} normal block at 0x000001DCF14F6140, 48 bytes long.
 Data: <PATH=G:\BOINC\DA> 50 41 54 48 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 
{3835176} normal block at 0x000001DCF33F67B0, 32 bytes long.
 Data: <HOME=G:\BOINC\DA> 48 4F 4D 45 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 
{3835165} normal block at 0x000001DCF33F5DF0, 32 bytes long.
 Data: <TMP=G:\BOINC\DAT> 54 4D 50 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 54 
{3835154} normal block at 0x000001DCF33F5A30, 32 bytes long.
 Data: <TEMP=G:\BOINC\DA> 54 45 4D 50 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 
{3835143} normal block at 0x000001DCF33F58B0, 32 bytes long.
 Data: <TMPDIR=G:\BOINC\> 54 4D 50 44 49 52 3D 47 3A 5C 42 4F 49 4E 43 5C 
{3835112} normal block at 0x000001DCF14F6760, 48 bytes long.
 Data: <PATH=G:\BOINC\DA> 50 41 54 48 3D 47 3A 5C 42 4F 49 4E 43 5C 44 41 
..\api\boinc_api.cpp(309) : {3835099} normal block at 0x000001DCF14ED3A0, 8 bytes long.
 Data: <   &#241;&#220;   > 00 00 A2 F1 DC 01 00 00 
{3833951} normal block at 0x000001DCF14EDC60, 8 bytes long.
 Data: <&#176;`C&#243;&#220;   > B0 60 43 F3 DC 01 00 00 
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000001DCF14F0F90, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001DCF14E60B0, 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 0x000001DCF14F4DE0, 16 bytes long.
 Data: < _O&#241;&#220;           > 88 5F 4F F1 DC 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001DCF14F5880, 16 bytes long.
 Data: <`_O&#241;&#220;           > 60 5F 4F F1 DC 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001DCF14EF540, 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 0x000001DCF14F5510, 16 bytes long.
 Data: <8_O&#241;&#220;           > 38 5F 4F F1 DC 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001DCF14F4D90, 16 bytes long.
 Data: < _O&#241;&#220;           > 10 5F 4F F1 DC 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000001DCF14F59C0, 16 bytes long.
 Data: <&#232;^O&#241;&#220;           > E8 5E 4F F1 DC 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001DCF14F5560, 16 bytes long.
 Data: <&#192;^O&#241;&#220;           > C0 5E 4F F1 DC 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000001DCF14F65A0, 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 0x000001DCF14F55B0, 16 bytes long.
 Data: <&#216;&#142;N&#241;&#220;           > D8 8E 4E F1 DC 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001DCF14EF240, 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 0x000001DCF14F50B0, 16 bytes long.
 Data: <&#176;&#142;N&#241;&#220;           > B0 8E 4E F1 DC 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001DCF14F4D40, 16 bytes long.
 Data: < &#142;N&#241;&#220;           > 88 8E 4E F1 DC 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001DCF14F4CA0, 16 bytes long.
 Data: <`&#142;N&#241;&#220;           > 60 8E 4E F1 DC 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001DCF14F4CF0, 16 bytes long.
 Data: <8&#142;N&#241;&#220;           > 38 8E 4E F1 DC 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000001DCF14F57E0, 16 bytes long.
 Data: < &#142;N&#241;&#220;           > 10 8E 4E F1 DC 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001DCF14F5970, 16 bytes long.
 Data: <&#232;&#141;N&#241;&#220;           > E8 8D 4E F1 DC 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000001DCF14EEC40, 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 0x000001DCF14F54C0, 16 bytes long.
 Data: <&#192;&#141;N&#241;&#220;           > C0 8D 4E F1 DC 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001DCF14E8DC0, 320 bytes long.
 Data: <&#192;TO&#241;&#220;   @&#236;N&#241;&#220;   > C0 54 4F F1 DC 01 00 00 40 EC 4E F1 DC 01 00 00 
{271} normal block at 0x000001DCF14F5150, 16 bytes long.
 Data: <&#160;^O&#241;&#220;           > A0 5E 4F F1 DC 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001DCF14F4FC0, 16 bytes long.
 Data: <x^O&#241;&#220;           > 78 5E 4F F1 DC 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000001DCF14EF1E0, 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 0x000001DCF14F5B50, 16 bytes long.
 Data: <P^O&#241;&#220;           > 50 5E 4F F1 DC 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001DCF14EEB80, 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 0x000001DCF14F5BF0, 16 bytes long.
 Data: < ]O&#241;&#220;           > 98 5D 4F F1 DC 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001DCF14F5B00, 16 bytes long.
 Data: <p]O&#241;&#220;           > 70 5D 4F F1 DC 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001DCF14F5BA0, 16 bytes long.
 Data: <H]O&#241;&#220;           > 48 5D 4F F1 DC 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x000001DCF14F4E80, 16 bytes long.
 Data: < ]O&#241;&#220;           > 20 5D 4F F1 DC 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001DCF14F5AB0, 16 bytes long.
 Data: <&#248;\O&#241;&#220;           > F8 5C 4F F1 DC 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001DCF14F5A60, 16 bytes long.
 Data: <&#208;\O&#241;&#220;           > D0 5C 4F F1 DC 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001DCF14F5A10, 16 bytes long.
 Data: <0&#203;M&#241;&#220;           > 30 CB 4D F1 DC 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001DCF14DCB30, 40 bytes long.
 Data: < ZO&#241;&#220;   `gO&#241;&#220;   > 10 5A 4F F1 DC 01 00 00 60 67 4F F1 DC 01 00 00 
{257} normal block at 0x000001DCF14F5290, 16 bytes long.
 Data: <&#176;\O&#241;&#220;           > B0 5C 4F F1 DC 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001DCF14F4ED0, 16 bytes long.
 Data: < \O&#241;&#220;           > 88 5C 4F F1 DC 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000001DCF14EF300, 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 0x000001DCF14F5240, 16 bytes long.
 Data: <`\O&#241;&#220;           > 60 5C 4F F1 DC 01 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000001DCF14F5C60, 992 bytes long.
 Data: <@RO&#241;&#220;    &#243;N&#241;&#220;   > 40 52 4F F1 DC 01 00 00 00 F3 4E F1 DC 01 00 00 
{89} normal block at 0x000001DCF14EFA20, 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 0x000001DCF14ED530, 16 bytes long.
 Data: < &#225;M&#241;&#220;           > 00 E1 4D F1 DC 01 00 00 00 00 00 00 00 00 00 00 
{87} normal block at 0x000001DCF14DE100, 40 bytes long.
 Data: <0&#213;N&#241;&#220;    &#250;N&#241;&#220;   > 30 D5 4E F1 DC 01 00 00 20 FA 4E F1 DC 01 00 00 
{66} normal block at 0x000001DCF14ED580, 16 bytes long.
 Data: < &#234;O &#246;           > 80 EA 4F 1F F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001DCF14EDBC0, 16 bytes long.
 Data: <@&#233;O &#246;           > 40 E9 4F 1F F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001DCF14ED210, 16 bytes long.
 Data: <&#248;WL &#246;           > F8 57 4C 1F F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001DCF14ED170, 16 bytes long.
 Data: <&#216;WL &#246;           > D8 57 4C 1F F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001DCF14ED990, 16 bytes long.
 Data: <P L &#246;           > 50 04 4C 1F F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001DCF14EDA80, 16 bytes long.
 Data: <0 L &#246;           > 30 04 4C 1F F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001DCF14EDB20, 16 bytes long.
 Data: <&#224; L &#246;           > E0 02 4C 1F F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000001DCF14ED5D0, 16 bytes long.
 Data: <  L &#246;           > 10 04 4C 1F F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000001DCF14EDDA0, 16 bytes long.
 Data: <p L &#246;           > 70 04 4C 1F F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000001DCF14EDEE0, 16 bytes long.
 Data: < &#192;J &#246;           > 18 C0 4A 1F F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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