Task 38685529

Name test_12-GPUGRID_TEST_ATM_40STEP_20261023-25-40-RND1884_0
Workunit 31626993
Created 27 Oct 2026, 21:34:15 UTC
Sent 27 Oct 2026, 21:34:17 UTC
Report deadline 1 Nov 2026, 21:34:17 UTC
Received 27 Oct 2026, 22:09:40 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 654854
Run time 34 min 29 sec
CPU time 33 min 18 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 12,741.16 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 740.48 MB
Peak swap size 12.90 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
16:35:09 (24252): wrapper (7.9.26016): starting
16:35:09 (24252): 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
16:35:10 (24252): Library/usr/bin/tar.exe exited; CPU time 0.000000
16:35:10 (24252): 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\1\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\1\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
17:09:08 (24252): C:/Windows/system32/cmd.exe exited; CPU time 1998.437500
17:09:08 (24252): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 32687817 bytes.
Dumping objects ->
{3835546} normal block at 0x000001FBB0D99620, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835535} normal block at 0x000001FBAEEA4550, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835524} normal block at 0x000001FBAEEA44E0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835513} normal block at 0x000001FBAEEA4A20, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835502} normal block at 0x000001FBAEEA4B00, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835471} normal block at 0x000001FBB0DA5680, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835460} normal block at 0x000001FBB0DBE9F0, 102 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) : {3835457} normal block at 0x000001FBAEE9E780, 8 bytes long.
 Data: <  L&#175;&#251;   > 00 00 4C AF FB 01 00 00 
{3834682} normal block at 0x000001FBB0DBF180, 102 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833957} normal block at 0x000001FBAEE9ED70, 8 bytes long.
 Data: <@G&#224;&#176;&#251;   > 40 47 E0 B0 FB 01 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001FBAEEA05C0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x000001FBAEE96580, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{294} normal block at 0x000001FBAEEA61F0, 16 bytes long.
 Data: < e&#234;&#174;&#251;           > 88 65 EA AE FB 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x000001FBAEEA5AC0, 16 bytes long.
 Data: <`e&#234;&#174;&#251;           > 60 65 EA AE FB 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x000001FBAEE9FD30, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{291} normal block at 0x000001FBAEEA61A0, 16 bytes long.
 Data: <8e&#234;&#174;&#251;           > 38 65 EA AE FB 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x000001FBAEEA54D0, 16 bytes long.
 Data: < e&#234;&#174;&#251;           > 10 65 EA AE FB 01 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x000001FBAEEA5520, 16 bytes long.
 Data: <&#232;d&#234;&#174;&#251;           > E8 64 EA AE FB 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x000001FBAEEA6150, 16 bytes long.
 Data: <&#192;d&#234;&#174;&#251;           > C0 64 EA AE FB 01 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x000001FBAEEA45C0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{286} normal block at 0x000001FBAEEA5ED0, 16 bytes long.
 Data: <  &#233;&#174;&#251;           > 88 8F E9 AE FB 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x000001FBAEE9FA90, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{284} normal block at 0x000001FBAEEA5E30, 16 bytes long.
 Data: <` &#233;&#174;&#251;           > 60 8F E9 AE FB 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x000001FBAEEA5DE0, 16 bytes long.
 Data: <8 &#233;&#174;&#251;           > 38 8F E9 AE FB 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x000001FBAEEA5E80, 16 bytes long.
 Data: <  &#233;&#174;&#251;           > 10 8F E9 AE FB 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x000001FBAEEA5D90, 16 bytes long.
 Data: <&#232;&#142;&#233;&#174;&#251;           > E8 8E E9 AE FB 01 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x000001FBAEEA5340, 16 bytes long.
 Data: <&#192;&#142;&#233;&#174;&#251;           > C0 8E E9 AE FB 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x000001FBAEEA57F0, 16 bytes long.
 Data: < &#142;&#233;&#174;&#251;           > 98 8E E9 AE FB 01 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x000001FBAEEA0030, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{276} normal block at 0x000001FBAEEA5CA0, 16 bytes long.
 Data: <p&#142;&#233;&#174;&#251;           > 70 8E E9 AE FB 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x000001FBAEE98E70, 320 bytes long.
 Data: <&#160;\&#234;&#174;&#251;   0 &#234;&#174;&#251;   > A0 5C EA AE FB 01 00 00 30 00 EA AE FB 01 00 00 
{274} normal block at 0x000001FBAEEA5D40, 16 bytes long.
 Data: <&#160;d&#234;&#174;&#251;           > A0 64 EA AE FB 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x000001FBAEEA6010, 16 bytes long.
 Data: <xd&#234;&#174;&#251;           > 78 64 EA AE FB 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x000001FBAEE9F7F0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{271} normal block at 0x000001FBAEEA53E0, 16 bytes long.
 Data: <Pd&#234;&#174;&#251;           > 50 64 EA AE FB 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x000001FBAEE9F790, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{269} normal block at 0x000001FBAEEA59D0, 16 bytes long.
 Data: < c&#234;&#174;&#251;           > 98 63 EA AE FB 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x000001FBAEEA5B60, 16 bytes long.
 Data: <pc&#234;&#174;&#251;           > 70 63 EA AE FB 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x000001FBAEEA6100, 16 bytes long.
 Data: <Hc&#234;&#174;&#251;           > 48 63 EA AE FB 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x000001FBAEEA60B0, 16 bytes long.
 Data: < c&#234;&#174;&#251;           > 20 63 EA AE FB 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x000001FBAEEA56B0, 16 bytes long.
 Data: <&#248;b&#234;&#174;&#251;           > F8 62 EA AE FB 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x000001FBAEEA5CF0, 16 bytes long.
 Data: <&#208;b&#234;&#174;&#251;           > D0 62 EA AE FB 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x000001FBAEEA5FC0, 16 bytes long.
 Data: <&#160;F&#234;&#174;&#251;           > A0 46 EA AE FB 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x000001FBAEEA46A0, 40 bytes long.
 Data: <&#192;_&#234;&#174;&#251;    V&#218;&#176;&#251;   > C0 5F EA AE FB 01 00 00 80 56 DA B0 FB 01 00 00 
{260} normal block at 0x000001FBAEEA5F70, 16 bytes long.
 Data: <&#176;b&#234;&#174;&#251;           > B0 62 EA AE FB 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x000001FBAEEA58E0, 16 bytes long.
 Data: < b&#234;&#174;&#251;           > 88 62 EA AE FB 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x000001FBAEE9FD90, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{257} normal block at 0x000001FBAEEA55C0, 16 bytes long.
 Data: <`b&#234;&#174;&#251;           > 60 62 EA AE FB 01 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x000001FBAEEA6260, 992 bytes long.
 Data: <&#192;U&#234;&#174;&#251;    &#253;&#233;&#174;&#251;   > C0 55 EA AE FB 01 00 00 90 FD E9 AE FB 01 00 00 
{92} normal block at 0x000001FBAEE9FA30, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{91} normal block at 0x000001FBAEE9EB40, 16 bytes long.
 Data: <P&#238;&#232;&#174;&#251;           > 50 EE E8 AE FB 01 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x000001FBAEE8EE50, 40 bytes long.
 Data: <@&#235;&#233;&#174;&#251;   0&#250;&#233;&#174;&#251;   > 40 EB E9 AE FB 01 00 00 30 FA E9 AE FB 01 00 00 
{69} normal block at 0x000001FBAEE9EFF0, 16 bytes long.
 Data: < &#234;&#159;&#186;&#246;           > 80 EA 9F BA F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x000001FBAEE9F450, 16 bytes long.
 Data: <@&#233;&#159;&#186;&#246;           > 40 E9 9F BA F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x000001FBAEE9EDC0, 16 bytes long.
 Data: <&#248;W&#156;&#186;&#246;           > F8 57 9C BA F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x000001FBAEE9ED20, 16 bytes long.
 Data: <&#216;W&#156;&#186;&#246;           > D8 57 9C BA F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x000001FBAEE9F1D0, 16 bytes long.
 Data: <P &#156;&#186;&#246;           > 50 04 9C BA F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x000001FBAEE9E730, 16 bytes long.
 Data: <0 &#156;&#186;&#246;           > 30 04 9C BA F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x000001FBAEE9EF00, 16 bytes long.
 Data: <&#224; &#156;&#186;&#246;           > E0 02 9C BA F6 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x000001FBAEE9F180, 16 bytes long.
 Data: <  &#156;&#186;&#246;           > 10 04 9C BA F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x000001FBAEE9EA50, 16 bytes long.
 Data: <p &#156;&#186;&#246;           > 70 04 9C BA F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x000001FBAEE9EFA0, 16 bytes long.
 Data: < &#192;&#154;&#186;&#246;           > 18 C0 9A BA F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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