Task 38659920

Name test_1781-GPUGRID_TEST_ATM_2STEP_20261024-0-2-RND0871_0
Workunit 31603452
Created 24 Oct 2026, 13:40:35 UTC
Sent 24 Oct 2026, 16:41:46 UTC
Report deadline 29 Oct 2026, 16:41:46 UTC
Received 24 Oct 2026, 18:17:19 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 559888
Run time 19 min 18 sec
CPU time 17 min 13 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 112,285.23 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 750.02 MB
Peak swap size 13.25 GB
Peak disk usage 2.97 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:47:21 (40080): wrapper (7.9.26016): starting
17:47:21 (40080): 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
17:47:22 (40080): Library/usr/bin/tar.exe exited; CPU time 0.000000
17:47:22 (40080): 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:\Boinc\data\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:\Boinc\data\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
18:05:08 (40080): C:/Windows/system32/cmd.exe exited; CPU time 1033.703125
18:05:08 (40080): called boinc_finish(0)
0 bytes in 0 Free Blocks.
346 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: 26359730 bytes.
Dumping objects ->
{3835279} normal block at 0x00000176695B4CB0, 48 bytes long.
 Data: <PATH=D:\Boinc\da> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5C 64 61 
{3835268} normal block at 0x000001766B44F990, 32 bytes long.
 Data: <HOME=D:\Boinc\da> 48 4F 4D 45 3D 44 3A 5C 42 6F 69 6E 63 5C 64 61 
{3835257} normal block at 0x000001766B44FE10, 32 bytes long.
 Data: <TMP=D:\Boinc\dat> 54 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5C 64 61 74 
{3835246} normal block at 0x000001766B44F690, 32 bytes long.
 Data: <TEMP=D:\Boinc\da> 54 45 4D 50 3D 44 3A 5C 42 6F 69 6E 63 5C 64 61 
{3835235} normal block at 0x000001766B4502F0, 32 bytes long.
 Data: <TMPDIR=D:\Boinc\> 54 4D 50 44 49 52 3D 44 3A 5C 42 6F 69 6E 63 5C 
{3835204} normal block at 0x00000176695B4930, 48 bytes long.
 Data: <PATH=D:\Boinc\da> 50 41 54 48 3D 44 3A 5C 42 6F 69 6E 63 5C 64 61 
{3835193} normal block at 0x000001766B41D520, 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 0x00000176695AF000, 8 bytes long.
 Data: <  &#172;iv   > 00 00 AC 69 76 01 00 00 
{3834567} normal block at 0x000001766B41D160, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833961} normal block at 0x00000176695AED80, 8 bytes long.
 Data: < :Fkv   > 00 3A 46 6B 76 01 00 00 
..\zip\boinc_zip.cpp(122) : {312} normal block at 0x00000176695B0990, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x00000176695A69E0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{296} normal block at 0x00000176695B58D0, 16 bytes long.
 Data: <hf[iv           > 68 66 5B 69 76 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000176695B5A60, 16 bytes long.
 Data: <@f[iv           > 40 66 5B 69 76 01 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000176695B00E0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{293} normal block at 0x00000176695B5FB0, 16 bytes long.
 Data: < f[iv           > 18 66 5B 69 76 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000176695B5880, 16 bytes long.
 Data: <&#240;e[iv           > F0 65 5B 69 76 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000176695B5BF0, 16 bytes long.
 Data: <&#200;e[iv           > C8 65 5B 69 76 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000176695B5790, 16 bytes long.
 Data: <&#160;e[iv           > A0 65 5B 69 76 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000176695B4E70, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{288} normal block at 0x00000176695B5D80, 16 bytes long.
 Data: < &#182;Yiv           > 18 B6 59 69 76 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000176695AFB40, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{286} normal block at 0x00000176695B5830, 16 bytes long.
 Data: <&#240;&#181;Yiv           > F0 B5 59 69 76 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000176695B61E0, 16 bytes long.
 Data: <&#200;&#181;Yiv           > C8 B5 59 69 76 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000176695B5AB0, 16 bytes long.
 Data: <&#160;&#181;Yiv           > A0 B5 59 69 76 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000176695B5740, 16 bytes long.
 Data: <x&#181;Yiv           > 78 B5 59 69 76 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000176695B6190, 16 bytes long.
 Data: <P&#181;Yiv           > 50 B5 59 69 76 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000176695B56F0, 16 bytes long.
 Data: <(&#181;Yiv           > 28 B5 59 69 76 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000176695B0020, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{278} normal block at 0x00000176695B5C90, 16 bytes long.
 Data: < &#181;Yiv           > 00 B5 59 69 76 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001766959B500, 320 bytes long.
 Data: < \[iv     [iv   > 90 5C 5B 69 76 01 00 00 20 00 5B 69 76 01 00 00 
{276} normal block at 0x00000176695B5970, 16 bytes long.
 Data: < e[iv           > 80 65 5B 69 76 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000176695B5F60, 16 bytes long.
 Data: <Xe[iv           > 58 65 5B 69 76 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000176695AFD80, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{273} normal block at 0x00000176695B6230, 16 bytes long.
 Data: <0e[iv           > 30 65 5B 69 76 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000176695AFD20, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{271} normal block at 0x00000176695B56A0, 16 bytes long.
 Data: <xd[iv           > 78 64 5B 69 76 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000176695B57E0, 16 bytes long.
 Data: <Pd[iv           > 50 64 5B 69 76 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000176695B55B0, 16 bytes long.
 Data: <(d[iv           > 28 64 5B 69 76 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000176695B5650, 16 bytes long.
 Data: < d[iv           > 00 64 5B 69 76 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000176695B5F10, 16 bytes long.
 Data: <&#216;c[iv           > D8 63 5B 69 76 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000176695B5920, 16 bytes long.
 Data: <&#176;c[iv           > B0 63 5B 69 76 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000176695B5A10, 16 bytes long.
 Data: <&#208;K[iv           > D0 4B 5B 69 76 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000176695B4BD0, 40 bytes long.
 Data: < Z[iv   0I[iv   > 10 5A 5B 69 76 01 00 00 30 49 5B 69 76 01 00 00 
{262} normal block at 0x00000176695B5D30, 16 bytes long.
 Data: < c[iv           > 90 63 5B 69 76 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000176695B5600, 16 bytes long.
 Data: <hc[iv           > 68 63 5B 69 76 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000176695B02C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{259} normal block at 0x00000176695B5E70, 16 bytes long.
 Data: <@c[iv           > 40 63 5B 69 76 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000176695B6340, 992 bytes long.
 Data: <p^[iv   &#192; [iv   > 70 5E 5B 69 76 01 00 00 C0 02 5B 69 76 01 00 00 
{94} normal block at 0x00000176695B0260, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{93} normal block at 0x00000176695AED30, 16 bytes long.
 Data: <&#192;&#239;Yiv           > C0 EF 59 69 76 01 00 00 00 00 00 00 00 00 00 00 
{92} normal block at 0x000001766959EFC0, 40 bytes long.
 Data: <0&#237;Ziv   ` [iv   > 30 ED 5A 69 76 01 00 00 60 02 5B 69 76 01 00 00 
{71} normal block at 0x00000176695AEB50, 16 bytes long.
 Data: < &#234;N.&#246;           > 80 EA 4E 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000176695AEC40, 16 bytes long.
 Data: <@&#233;N.&#246;           > 40 E9 4E 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000176695AF780, 16 bytes long.
 Data: <&#248;WK.&#246;           > F8 57 4B 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000176695AF690, 16 bytes long.
 Data: <&#216;WK.&#246;           > D8 57 4B 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000176695AEF60, 16 bytes long.
 Data: <P K.&#246;           > 50 04 4B 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000176695AEB00, 16 bytes long.
 Data: <0 K.&#246;           > 30 04 4B 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000176695AF640, 16 bytes long.
 Data: <&#224; K.&#246;           > E0 02 4B 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000176695AEC90, 16 bytes long.
 Data: <  K.&#246;           > 10 04 4B 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000176695AF5F0, 16 bytes long.
 Data: <p K.&#246;           > 70 04 4B 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000176695AF5A0, 16 bytes long.
 Data: < &#192;I.&#246;           > 18 C0 49 2E F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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