Task 38677150

Name test_698-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND2961_0
Workunit 31619033
Created 26 Oct 2026, 13:26:57 UTC
Sent 26 Oct 2026, 13:27:05 UTC
Report deadline 31 Oct 2026, 13:27:05 UTC
Received 26 Oct 2026, 17:05:39 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 574909
Run time 2 hours 44 min 50 sec
CPU time 2 hours 39 min 38 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 2,906.63 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 707.73 MB
Peak swap size 5.20 GB
Peak disk usage 3.90 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
09:21:55 (3896): wrapper (7.9.26016): starting
09:21:55 (3896): 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
09:21:57 (3896): Library/usr/bin/tar.exe exited; CPU time 0.015625
09:21:57 (3896): 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
12:05:13 (3896): C:/Windows/system32/cmd.exe exited; CPU time 9578.750000
12:05:13 (3896): 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: 157900499 bytes.
Dumping objects ->
{3835202} normal block at 0x0000022774B514B0, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835191} normal block at 0x0000022774B04EF0, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835180} normal block at 0x0000022774B04E80, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835169} normal block at 0x0000022774B05350, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835158} normal block at 0x0000022774B04E10, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835127} normal block at 0x0000022776827890, 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) : {3835114} normal block at 0x0000022774AFD780, 8 bytes long.
 Data: <  Xv'   > 00 00 58 76 27 02 00 00 
{3833965} normal block at 0x0000022774AFDEB0, 8 bytes long.
 Data: < K&#139;v'   > 80 4B 8B 76 27 02 00 00 
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x0000022774B01640, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{299} normal block at 0x0000022774AF6560, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{298} normal block at 0x0000022774B06690, 16 bytes long.
 Data: <&#184;k&#176;t'           > B8 6B B0 74 27 02 00 00 00 00 00 00 00 00 00 00 
{297} normal block at 0x0000022774B05AB0, 16 bytes long.
 Data: < k&#176;t'           > 90 6B B0 74 27 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000022774AFFB70, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{295} normal block at 0x0000022774B059C0, 16 bytes long.
 Data: <hk&#176;t'           > 68 6B B0 74 27 02 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x0000022774B05920, 16 bytes long.
 Data: <@k&#176;t'           > 40 6B B0 74 27 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000022774B06500, 16 bytes long.
 Data: < k&#176;t'           > 18 6B B0 74 27 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000022774B05D80, 16 bytes long.
 Data: <&#240;j&#176;t'           > F0 6A B0 74 27 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000022774B04FD0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{290} normal block at 0x0000022774B05FB0, 16 bytes long.
 Data: <&#248;&#245;&#174;t'           > F8 F5 AE 74 27 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x0000022774AFFB10, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{288} normal block at 0x0000022774B058D0, 16 bytes long.
 Data: <&#208;&#245;&#174;t'           > D0 F5 AE 74 27 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000022774B05CE0, 16 bytes long.
 Data: <&#168;&#245;&#174;t'           > A8 F5 AE 74 27 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000022774B06190, 16 bytes long.
 Data: < &#245;&#174;t'           > 80 F5 AE 74 27 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000022774B063C0, 16 bytes long.
 Data: <X&#245;&#174;t'           > 58 F5 AE 74 27 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000022774B06820, 16 bytes long.
 Data: <0&#245;&#174;t'           > 30 F5 AE 74 27 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000022774B06370, 16 bytes long.
 Data: < &#245;&#174;t'           > 08 F5 AE 74 27 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000022774AFFAB0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{280} normal block at 0x0000022774B05E20, 16 bytes long.
 Data: <&#224;&#244;&#174;t'           > E0 F4 AE 74 27 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x0000022774AEF4E0, 320 bytes long.
 Data: < ^&#176;t'   &#176;&#250;&#175;t'   > 20 5E B0 74 27 02 00 00 B0 FA AF 74 27 02 00 00 
{278} normal block at 0x0000022774B05970, 16 bytes long.
 Data: <&#208;j&#176;t'           > D0 6A B0 74 27 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x0000022774B06460, 16 bytes long.
 Data: <&#168;j&#176;t'           > A8 6A B0 74 27 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000022774AFF750, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{275} normal block at 0x0000022774B05C90, 16 bytes long.
 Data: < j&#176;t'           > 80 6A B0 74 27 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000022774AFFF90, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{273} normal block at 0x0000022774B05DD0, 16 bytes long.
 Data: <&#200;i&#176;t'           > C8 69 B0 74 27 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000022774B06320, 16 bytes long.
 Data: <&#160;i&#176;t'           > A0 69 B0 74 27 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000022774B06000, 16 bytes long.
 Data: <xi&#176;t'           > 78 69 B0 74 27 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000022774B06140, 16 bytes long.
 Data: <Pi&#176;t'           > 50 69 B0 74 27 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000022774B06410, 16 bytes long.
 Data: <(i&#176;t'           > 28 69 B0 74 27 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000022774B064B0, 16 bytes long.
 Data: < i&#176;t'           > 00 69 B0 74 27 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000022774B05D30, 16 bytes long.
 Data: <`O&#176;t'           > 60 4F B0 74 27 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000022774B04F60, 40 bytes long.
 Data: <0]&#176;t'    x&#130;v'   > 30 5D B0 74 27 02 00 00 90 78 82 76 27 02 00 00 
{264} normal block at 0x0000022774B06780, 16 bytes long.
 Data: <&#224;h&#176;t'           > E0 68 B0 74 27 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000022774B05A60, 16 bytes long.
 Data: <&#184;h&#176;t'           > B8 68 B0 74 27 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000022774AFF210, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{261} normal block at 0x0000022774B065A0, 16 bytes long.
 Data: < h&#176;t'           > 90 68 B0 74 27 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000022774B06890, 992 bytes long.
 Data: <&#160;e&#176;t'    &#242;&#175;t'   > A0 65 B0 74 27 02 00 00 10 F2 AF 74 27 02 00 00 
{96} normal block at 0x0000022774AFF9F0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{95} normal block at 0x0000022774AFDF50, 16 bytes long.
 Data: < &#237;&#175;t'           > 00 ED AF 74 27 02 00 00 00 00 00 00 00 00 00 00 
{94} normal block at 0x0000022774AFED00, 40 bytes long.
 Data: <P&#223;&#175;t'   &#240;&#249;&#175;t'   > 50 DF AF 74 27 02 00 00 F0 F9 AF 74 27 02 00 00 
{73} normal block at 0x0000022774AFDF00, 16 bytes long.
 Data: < &#234;'O&#247;           > 80 EA 27 4F F7 7F 00 00 00 00 00 00 00 00 00 00 
{72} normal block at 0x0000022774AFDD20, 16 bytes long.
 Data: <@&#233;'O&#247;           > 40 E9 27 4F F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000022774AFDAF0, 16 bytes long.
 Data: <&#248;W$O&#247;           > F8 57 24 4F F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000022774AFD550, 16 bytes long.
 Data: <&#216;W$O&#247;           > D8 57 24 4F F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000022774AFE090, 16 bytes long.
 Data: <P $O&#247;           > 50 04 24 4F F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000022774AFDA00, 16 bytes long.
 Data: <0 $O&#247;           > 30 04 24 4F F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000022774AFD870, 16 bytes long.
 Data: <&#224; $O&#247;           > E0 02 24 4F F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000022774AFE180, 16 bytes long.
 Data: <  $O&#247;           > 10 04 24 4F F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000022774AFE040, 16 bytes long.
 Data: <p $O&#247;           > 70 04 24 4F F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000022774AFD820, 16 bytes long.
 Data: < &#192;"O&#247;           > 18 C0 22 4F F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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