Task 38688630

Name test_809-GPUGRID_TEST_ATM_40STEP_20261023-15-40-RND3938_0
Workunit 31629960
Created 28 Oct 2026, 15:15:37 UTC
Sent 28 Oct 2026, 15:15:40 UTC
Report deadline 2 Nov 2026, 15:15:40 UTC
Received 28 Oct 2026, 15:41:23 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654804
Run time 22 min 15 sec
CPU time 21 min 10 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 31,599.15 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 710.15 MB
Peak swap size 6.96 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
11:16:29 (13204): wrapper (7.9.26016): starting
11:16:29 (13204): 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
11:16:30 (13204): Library/usr/bin/tar.exe exited; CPU time 0.000000
11:16:30 (13204): 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:\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 'C:\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
11:38:25 (13204): C:/Windows/system32/cmd.exe exited; CPU time 1270.843750
11:38:25 (13204): 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: 23368599 bytes.
Dumping objects ->
{3835255} normal block at 0x0000028CE0078370, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835244} normal block at 0x0000028CE0078D80, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835233} normal block at 0x0000028CE00784C0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835222} normal block at 0x0000028CE00786F0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835211} normal block at 0x0000028CE00781B0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835180} normal block at 0x0000028CE1C81530, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835167} normal block at 0x0000028CE004C9B0, 8 bytes long.
 Data: <  1&#224;&#140;   > 00 00 31 E0 8C 02 00 00 
{3833967} normal block at 0x0000028CE004C0F0, 8 bytes long.
 Data: < - &#224;&#140;   > 90 2D 05 E0 8C 02 00 00 
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x0000028CE001D190, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{300} normal block at 0x0000028CE0050B20, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{299} normal block at 0x0000028CE0055B90, 16 bytes long.
 Data: <x_ &#224;&#140;           > 78 5F 05 E0 8C 02 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000028CE00555F0, 16 bytes long.
 Data: <P_ &#224;&#140;           > 50 5F 05 E0 8C 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000028CE00454D0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{296} normal block at 0x0000028CE00557D0, 16 bytes long.
 Data: <(_ &#224;&#140;           > 28 5F 05 E0 8C 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000028CE0055460, 16 bytes long.
 Data: < _ &#224;&#140;           > 00 5F 05 E0 8C 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000028CE0055AA0, 16 bytes long.
 Data: <&#216;^ &#224;&#140;           > D8 5E 05 E0 8C 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000028CE00558C0, 16 bytes long.
 Data: <&#176;^ &#224;&#140;           > B0 5E 05 E0 8C 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000028CE004E710, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{291} normal block at 0x0000028CE0055A50, 16 bytes long.
 Data: <(K &#224;&#140;           > 28 4B 05 E0 8C 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000028CE0045C50, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{289} normal block at 0x0000028CE0055190, 16 bytes long.
 Data: < K &#224;&#140;           > 00 4B 05 E0 8C 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x0000028CE0055000, 16 bytes long.
 Data: <&#216;J &#224;&#140;           > D8 4A 05 E0 8C 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000028CE0054EC0, 16 bytes long.
 Data: <&#176;J &#224;&#140;           > B0 4A 05 E0 8C 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000028CE0055870, 16 bytes long.
 Data: < J &#224;&#140;           > 88 4A 05 E0 8C 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000028CE0055820, 16 bytes long.
 Data: <`J &#224;&#140;           > 60 4A 05 E0 8C 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000028CE0055370, 16 bytes long.
 Data: <8J &#224;&#140;           > 38 4A 05 E0 8C 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000028CE0045B30, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{281} normal block at 0x0000028CE0055A00, 16 bytes long.
 Data: < J &#224;&#140;           > 10 4A 05 E0 8C 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000028CE0054A10, 320 bytes long.
 Data: < Z &#224;&#140;   0[ &#224;&#140;   > 00 5A 05 E0 8C 02 00 00 30 5B 04 E0 8C 02 00 00 
{279} normal block at 0x0000028CE0054F10, 16 bytes long.
 Data: < ^ &#224;&#140;           > 90 5E 05 E0 8C 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000028CE0055320, 16 bytes long.
 Data: <h^ &#224;&#140;           > 68 5E 05 E0 8C 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000028CE0045470, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{276} normal block at 0x0000028CE0055B40, 16 bytes long.
 Data: <@^ &#224;&#140;           > 40 5E 05 E0 8C 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000028CE0045AD0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{274} normal block at 0x0000028CE00550F0, 16 bytes long.
 Data: < ] &#224;&#140;           > 88 5D 05 E0 8C 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000028CE0054FB0, 16 bytes long.
 Data: <`] &#224;&#140;           > 60 5D 05 E0 8C 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000028CE0054D30, 16 bytes long.
 Data: <8] &#224;&#140;           > 38 5D 05 E0 8C 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000028CE00559B0, 16 bytes long.
 Data: < ] &#224;&#140;           > 10 5D 05 E0 8C 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000028CE0055910, 16 bytes long.
 Data: <&#232;\ &#224;&#140;           > E8 5C 05 E0 8C 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000028CE0055AF0, 16 bytes long.
 Data: <&#192;\ &#224;&#140;           > C0 5C 05 E0 8C 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000028CE0054C90, 16 bytes long.
 Data: <0&#230; &#224;&#140;           > 30 E6 04 E0 8C 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000028CE004E630, 40 bytes long.
 Data: < L &#224;&#140;   0 &#200;&#225;&#140;   > 90 4C 05 E0 8C 02 00 00 30 15 C8 E1 8C 02 00 00 
{265} normal block at 0x0000028CE00551E0, 16 bytes long.
 Data: <&#160;\ &#224;&#140;           > A0 5C 05 E0 8C 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000028CE0054E70, 16 bytes long.
 Data: <x\ &#224;&#140;           > 78 5C 05 E0 8C 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000028CE0045950, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{262} normal block at 0x0000028CE0054F60, 16 bytes long.
 Data: <P\ &#224;&#140;           > 50 5C 05 E0 8C 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000028CE0055C50, 992 bytes long.
 Data: <`O &#224;&#140;   PY &#224;&#140;   > 60 4F 05 E0 8C 02 00 00 50 59 04 E0 8C 02 00 00 
{97} normal block at 0x0000028CE0045410, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{96} normal block at 0x0000028CE004C2D0, 16 bytes long.
 Data: <&#240;&#231; &#224;&#140;           > F0 E7 04 E0 8C 02 00 00 00 00 00 00 00 00 00 00 
{95} normal block at 0x0000028CE004E7F0, 40 bytes long.
 Data: <&#208;&#194; &#224;&#140;    T &#224;&#140;   > D0 C2 04 E0 8C 02 00 00 10 54 04 E0 8C 02 00 00 
{74} normal block at 0x0000028CE004C7D0, 16 bytes long.
 Data: < &#234;  &#247;           > 80 EA 17 10 F7 7F 00 00 00 00 00 00 00 00 00 00 
{73} normal block at 0x0000028CE004C280, 16 bytes long.
 Data: <@&#233;  &#247;           > 40 E9 17 10 F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000028CE004C050, 16 bytes long.
 Data: <&#248;W  &#247;           > F8 57 14 10 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000028CE004C960, 16 bytes long.
 Data: <&#216;W  &#247;           > D8 57 14 10 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000028CE004CB40, 16 bytes long.
 Data: <P   &#247;           > 50 04 14 10 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000028CE004C4B0, 16 bytes long.
 Data: <0   &#247;           > 30 04 14 10 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000028CE004C460, 16 bytes long.
 Data: <&#224;   &#247;           > E0 02 14 10 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000028CE004C230, 16 bytes long.
 Data: <    &#247;           > 10 04 14 10 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000028CE004BFB0, 16 bytes long.
 Data: <p   &#247;           > 70 04 14 10 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000028CE004C870, 16 bytes long.
 Data: < &#192;  &#247;           > 18 C0 12 10 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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