Task 38689910

Name test_984-GPUGRID_TEST_ATM_40STEP_20261023-38-40-RND7078_0
Workunit 31631123
Created 29 Oct 2026, 0:36:32 UTC
Sent 29 Oct 2026, 0:36:36 UTC
Report deadline 3 Nov 2026, 0:36:36 UTC
Received 29 Oct 2026, 1:51:43 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 539539
Run time 1 hours 4 min 9 sec
CPU time 1 hours 3 min 7 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 4,056.34 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 679.25 MB
Peak swap size 5.22 GB
Peak disk usage 3.55 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:47:19 (20224): wrapper (7.9.26016): starting
01:47:19 (20224): 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
01:47:20 (20224): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:47:20 (20224): 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
02:51:25 (20224): C:/Windows/system32/cmd.exe exited; CPU time 3787.406250
02:51:25 (20224): called boinc_finish(0)
0 bytes in 0 Free Blocks.
426 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: 65090772 bytes.
Dumping objects ->
{3835272} normal block at 0x000002430B611B00, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835261} normal block at 0x000002430B611550, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835250} normal block at 0x000002430B611940, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835239} normal block at 0x000002430B611BE0, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835228} normal block at 0x000002430B6118D0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835197} normal block at 0x000002430D05C100, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835186} normal block at 0x000002430D174920, 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) : {3835183} normal block at 0x000002430B607E40, 8 bytes long.
 Data: <  &#249; C   > 00 00 F9 0C 43 02 00 00 
{3834555} normal block at 0x000002430D174EC0, 85 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833945} normal block at 0x000002430B607440, 8 bytes long.
 Data: < &#186;f C   > 90 BA 66 0B 43 02 00 00 
..\zip\boinc_zip.cpp(122) : {304} normal block at 0x000002430B610590, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000002430B5FAD00, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{288} normal block at 0x000002430B612600, 16 bytes long.
 Data: <&#216;3a C           > D8 33 61 0B 43 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000002430B612060, 16 bytes long.
 Data: <&#176;3a C           > B0 33 61 0B 43 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x000002430B60DF20, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{285} normal block at 0x000002430B612790, 16 bytes long.
 Data: < 3a C           > 88 33 61 0B 43 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x000002430B612290, 16 bytes long.
 Data: <`3a C           > 60 33 61 0B 43 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x000002430B6125B0, 16 bytes long.
 Data: <83a C           > 38 33 61 0B 43 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000002430B6120B0, 16 bytes long.
 Data: < 3a C           > 10 33 61 0B 43 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000002430B611630, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{280} normal block at 0x000002430B612240, 16 bytes long.
 Data: <X&#208;` C           > 58 D0 60 0B 43 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000002430B60D9E0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{278} normal block at 0x000002430B612B50, 16 bytes long.
 Data: <0&#208;` C           > 30 D0 60 0B 43 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x000002430B612B00, 16 bytes long.
 Data: < &#208;` C           > 08 D0 60 0B 43 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000002430B612BA0, 16 bytes long.
 Data: <&#224;&#207;` C           > E0 CF 60 0B 43 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x000002430B611E30, 16 bytes long.
 Data: <&#184;&#207;` C           > B8 CF 60 0B 43 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000002430B612510, 16 bytes long.
 Data: < &#207;` C           > 90 CF 60 0B 43 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000002430B612AB0, 16 bytes long.
 Data: <h&#207;` C           > 68 CF 60 0B 43 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x000002430B60DB60, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{270} normal block at 0x000002430B612830, 16 bytes long.
 Data: <@&#207;` C           > 40 CF 60 0B 43 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x000002430B60CF40, 320 bytes long.
 Data: <0(a C   `&#219;` C   > 30 28 61 0B 43 02 00 00 60 DB 60 0B 43 02 00 00 
{268} normal block at 0x000002430B6124C0, 16 bytes long.
 Data: <&#240;2a C           > F0 32 61 0B 43 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000002430B6121A0, 16 bytes long.
 Data: <&#200;2a C           > C8 32 61 0B 43 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000002430B60D2C0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{265} normal block at 0x000002430B6126F0, 16 bytes long.
 Data: <&#160;2a C           > A0 32 61 0B 43 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000002430B60D260, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{263} normal block at 0x000002430B611D40, 16 bytes long.
 Data: <&#232;1a C           > E8 31 61 0B 43 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000002430B6126A0, 16 bytes long.
 Data: <&#192;1a C           > C0 31 61 0B 43 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000002430B612560, 16 bytes long.
 Data: < 1a C           > 98 31 61 0B 43 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x000002430B612A60, 16 bytes long.
 Data: <p1a C           > 70 31 61 0B 43 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000002430B612380, 16 bytes long.
 Data: <H1a C           > 48 31 61 0B 43 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000002430B611DE0, 16 bytes long.
 Data: < 1a C           > 20 31 61 0B 43 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000002430B612A10, 16 bytes long.
 Data: <&#192; a C           > C0 15 61 0B 43 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x000002430B6115C0, 40 bytes long.
 Data: < *a C    &#193;  C   > 10 2A 61 0B 43 02 00 00 00 C1 05 0D 43 02 00 00 
{254} normal block at 0x000002430B612920, 16 bytes long.
 Data: < 1a C           > 00 31 61 0B 43 02 00 00 00 00 00 00 00 00 00 00 
{253} normal block at 0x000002430B612330, 16 bytes long.
 Data: <&#216;0a C           > D8 30 61 0B 43 02 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x000002430B60D5C0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{251} normal block at 0x000002430B611D90, 16 bytes long.
 Data: <&#176;0a C           > B0 30 61 0B 43 02 00 00 00 00 00 00 00 00 00 00 
{250} normal block at 0x000002430B6130B0, 992 bytes long.
 Data: <  a C   &#192;&#213;` C   > 90 1D 61 0B 43 02 00 00 C0 D5 60 0B 43 02 00 00 
{86} normal block at 0x000002430B60E040, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{85} normal block at 0x000002430B6071C0, 16 bytes long.
 Data: <&#160; a C           > A0 16 61 0B 43 02 00 00 00 00 00 00 00 00 00 00 
{84} normal block at 0x000002430B6116A0, 40 bytes long.
 Data: <&#192;q` C   @&#224;` C   > C0 71 60 0B 43 02 00 00 40 E0 60 0B 43 02 00 00 
{63} normal block at 0x000002430B607CB0, 16 bytes long.
 Data: < &#234;%&#227;&#247;           > 80 EA 25 E3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000002430B607C60, 16 bytes long.
 Data: <@&#233;%&#227;&#247;           > 40 E9 25 E3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000002430B607DA0, 16 bytes long.
 Data: <&#248;W"&#227;&#247;           > F8 57 22 E3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000002430B607C10, 16 bytes long.
 Data: <&#216;W"&#227;&#247;           > D8 57 22 E3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x000002430B6070D0, 16 bytes long.
 Data: <P "&#227;&#247;           > 50 04 22 E3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x000002430B607490, 16 bytes long.
 Data: <0 "&#227;&#247;           > 30 04 22 E3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x000002430B607120, 16 bytes long.
 Data: <&#224; "&#227;&#247;           > E0 02 22 E3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x000002430B607AD0, 16 bytes long.
 Data: <  "&#227;&#247;           > 10 04 22 E3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x000002430B607BC0, 16 bytes long.
 Data: <p "&#227;&#247;           > 70 04 22 E3 F7 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x000002430B6073A0, 16 bytes long.
 Data: < &#192; &#227;&#247;           > 18 C0 20 E3 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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