Task 38682874

Name test_715-GPUGRID_TEST_ATM_40STEP_20261023-6-40-RND4691_0
Workunit 31624465
Created 27 Oct 2026, 9:29:21 UTC
Sent 27 Oct 2026, 9:29:25 UTC
Report deadline 1 Nov 2026, 9:29:25 UTC
Received 27 Oct 2026, 10:20:20 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 627263
Run time 40 min 29 sec
CPU time 30 min 4 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 34,102.83 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 4.17 GB
Peak swap size 6.99 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
05:41:08 (40096): wrapper (7.9.26016): starting
05:41:08 (40096): 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
05:41:11 (40096): Library/usr/bin/tar.exe exited; CPU time 0.000000
05:41:11 (40096): 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 'D:\ProgramData\BOINC\slots\0\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 'D:\ProgramData\BOINC\slots\0\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
06:19:32 (40096): C:/Windows/system32/cmd.exe exited; CPU time 1804.078125
06:19:32 (40096): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 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: 50898443 bytes.
Dumping objects ->
{3835205} normal block at 0x0000028D256DD930, 48 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835194} normal block at 0x0000028D256DE490, 48 bytes long.
 Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835183} normal block at 0x0000028D256DDD20, 48 bytes long.
 Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835172} normal block at 0x0000028D23A351C0, 48 bytes long.
 Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
{3835161} normal block at 0x0000028D23A35150, 48 bytes long.
 Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61 
{3835130} normal block at 0x0000028D25725830, 64 bytes long.
 Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835117} normal block at 0x0000028D23A2E1D0, 8 bytes long.
 Data: <  W%    > 00 00 57 25 8D 02 00 00 
{3833959} normal block at 0x0000028D23A2DEB0, 8 bytes long.
 Data: <0&#229;&#176;#    > 30 E5 B0 23 8D 02 00 00 
..\zip\boinc_zip.cpp(122) : {311} normal block at 0x0000028D23A31D50, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000028D23A26AF0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{295} normal block at 0x0000028D23A36540, 16 bytes long.
 Data: <8`&#163;#            > 38 60 A3 23 8D 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000028D23A36720, 16 bytes long.
 Data: < `&#163;#            > 10 60 A3 23 8D 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000028D23A2FA20, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{292} normal block at 0x0000028D23A36810, 16 bytes long.
 Data: <&#232;_&#163;#            > E8 5F A3 23 8D 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000028D23A36860, 16 bytes long.
 Data: <&#192;_&#163;#            > C0 5F A3 23 8D 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000028D23A36DB0, 16 bytes long.
 Data: < _&#163;#            > 98 5F A3 23 8D 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000028D23A36D60, 16 bytes long.
 Data: <p_&#163;#            > 70 5F A3 23 8D 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000028D23A352A0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{287} normal block at 0x0000028D23A36680, 16 bytes long.
 Data: <h&#243;&#161;#            > 68 F3 A1 23 8D 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000028D23A2FBA0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{285} normal block at 0x0000028D23A36CC0, 16 bytes long.
 Data: <@&#243;&#161;#            > 40 F3 A1 23 8D 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000028D23A367C0, 16 bytes long.
 Data: < &#243;&#161;#            > 18 F3 A1 23 8D 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000028D23A36AE0, 16 bytes long.
 Data: <&#240;&#242;&#161;#            > F0 F2 A1 23 8D 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000028D23A36FE0, 16 bytes long.
 Data: <&#200;&#242;&#161;#            > C8 F2 A1 23 8D 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000028D23A36EA0, 16 bytes long.
 Data: <&#160;&#242;&#161;#            > A0 F2 A1 23 8D 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000028D23A370D0, 16 bytes long.
 Data: <x&#242;&#161;#            > 78 F2 A1 23 8D 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000028D23A2FF00, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{277} normal block at 0x0000028D23A36E50, 16 bytes long.
 Data: <P&#242;&#161;#            > 50 F2 A1 23 8D 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000028D23A1F250, 320 bytes long.
 Data: <Pn&#163;#     &#255;&#162;#    > 50 6E A3 23 8D 02 00 00 00 FF A2 23 8D 02 00 00 
{275} normal block at 0x0000028D23A369F0, 16 bytes long.
 Data: <P_&#163;#            > 50 5F A3 23 8D 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000028D23A36B30, 16 bytes long.
 Data: <(_&#163;#            > 28 5F A3 23 8D 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000028D23A30200, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{272} normal block at 0x0000028D23A36180, 16 bytes long.
 Data: < _&#163;#            > 00 5F A3 23 8D 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000028D23A301A0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{270} normal block at 0x0000028D23A36450, 16 bytes long.
 Data: <H^&#163;#            > 48 5E A3 23 8D 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000028D23A364F0, 16 bytes long.
 Data: < ^&#163;#            > 20 5E A3 23 8D 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000028D23A364A0, 16 bytes long.
 Data: <&#248;]&#163;#            > F8 5D A3 23 8D 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000028D23A36950, 16 bytes long.
 Data: <&#208;]&#163;#            > D0 5D A3 23 8D 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000028D23A37030, 16 bytes long.
 Data: <&#168;]&#163;#            > A8 5D A3 23 8D 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000028D23A2DB90, 16 bytes long.
 Data: < ]&#163;#            > 80 5D A3 23 8D 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000028D23A2DA00, 16 bytes long.
 Data: <&#224;W&#163;#            > E0 57 A3 23 8D 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000028D23A357E0, 40 bytes long.
 Data: < &#218;&#162;#    0Xr%    > 00 DA A2 23 8D 02 00 00 30 58 72 25 8D 02 00 00 
{261} normal block at 0x0000028D23A2D870, 16 bytes long.
 Data: <`]&#163;#            > 60 5D A3 23 8D 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000028D23A2D820, 16 bytes long.
 Data: <8]&#163;#            > 38 5D A3 23 8D 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000028D23A30560, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{258} normal block at 0x0000028D23A2E4A0, 16 bytes long.
 Data: < ]&#163;#            > 10 5D A3 23 8D 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000028D23A35D10, 992 bytes long.
 Data: <&#160;&#228;&#162;#    ` &#163;#    > A0 E4 A2 23 8D 02 00 00 60 05 A3 23 8D 02 00 00 
{93} normal block at 0x0000028D23A2FA80, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{92} normal block at 0x0000028D23A2E540, 16 bytes long.
 Data: <&#240;S&#163;#            > F0 53 A3 23 8D 02 00 00 00 00 00 00 00 00 00 00 
{91} normal block at 0x0000028D23A353F0, 40 bytes long.
 Data: <@&#229;&#162;#     &#250;&#162;#    > 40 E5 A2 23 8D 02 00 00 80 FA A2 23 8D 02 00 00 
{70} normal block at 0x0000028D23A2DFF0, 16 bytes long.
 Data: < &#234;&#132;{&#246;           > 80 EA 84 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000028D23A2E090, 16 bytes long.
 Data: <@&#233;&#132;{&#246;           > 40 E9 84 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000028D23A2E2C0, 16 bytes long.
 Data: <&#248;W {&#246;           > F8 57 81 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000028D23A2DE60, 16 bytes long.
 Data: <&#216;W {&#246;           > D8 57 81 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000028D23A2E180, 16 bytes long.
 Data: <P  {&#246;           > 50 04 81 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000028D23A2D910, 16 bytes long.
 Data: <0  {&#246;           > 30 04 81 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000028D23A2D8C0, 16 bytes long.
 Data: <&#224;  {&#246;           > E0 02 81 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000028D23A2E040, 16 bytes long.
 Data: <   {&#246;           > 10 04 81 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x0000028D23A2DD70, 16 bytes long.
 Data: <p  {&#246;           > 70 04 81 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000028D23A2DC80, 16 bytes long.
 Data: < &#192; {&#246;           > 18 C0 7F 7B F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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