Task 38674497

Name test_847-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND5555_0
Workunit 31616529
Created 26 Oct 2026, 5:28:32 UTC
Sent 26 Oct 2026, 5:28:33 UTC
Report deadline 31 Oct 2026, 5:28:33 UTC
Received 26 Oct 2026, 6:36:33 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 609406
Run time 1 hours 2 min 30 sec
CPU time 58 min 41 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 5,072.41 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 714.28 MB
Peak swap size 9.75 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:34:56 (46320): wrapper (7.9.26016): starting
22:34:56 (46320): 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
22:34:57 (46320): Library/usr/bin/tar.exe exited; CPU time 0.000000
22:34:57 (46320): 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
23:35:32 (46320): C:/Windows/system32/cmd.exe exited; CPU time 3521.421875
23:35:32 (46320): 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: 74312829 bytes.
Dumping objects ->
{3835195} normal block at 0x00000242F49A4E00, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835184} normal block at 0x00000242F49A4C40, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835173} normal block at 0x00000242F49A4F50, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835162} normal block at 0x00000242F2CA6780, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835151} normal block at 0x00000242F2CA66A0, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835120} normal block at 0x00000242F494CE70, 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) : {3835107} normal block at 0x00000242F2C9F5F0, 8 bytes long.
 Data: <   &#243;B   > 00 00 15 F3 42 02 00 00 
{3833957} normal block at 0x00000242F2C9F1E0, 8 bytes long.
 Data: < Z &#244;B   > 10 5A 9D F4 42 02 00 00 
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000242F2CA0C10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000242F2C96160, 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 0x00000242F2CA77F0, 16 bytes long.
 Data: <8s&#202;&#242;B           > 38 73 CA F2 42 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000242F2CA7E30, 16 bytes long.
 Data: < s&#202;&#242;B           > 10 73 CA F2 42 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000242F2C9F820, 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 0x00000242F2CA7750, 16 bytes long.
 Data: <&#232;r&#202;&#242;B           > E8 72 CA F2 42 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000242F2CA8240, 16 bytes long.
 Data: <&#192;r&#202;&#242;B           > C0 72 CA F2 42 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000242F2CA7DE0, 16 bytes long.
 Data: < r&#202;&#242;B           > 98 72 CA F2 42 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000242F2CA7B60, 16 bytes long.
 Data: <pr&#202;&#242;B           > 70 72 CA F2 42 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000242F2CA6CC0, 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 0x00000242F2CA81F0, 16 bytes long.
 Data: <&#232; &#201;&#242;B           > E8 8F C9 F2 42 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000242F2C9FA60, 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 0x00000242F2CA8150, 16 bytes long.
 Data: <&#192; &#201;&#242;B           > C0 8F C9 F2 42 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000242F2CA7AC0, 16 bytes long.
 Data: <  &#201;&#242;B           > 98 8F C9 F2 42 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000242F2CA7A20, 16 bytes long.
 Data: <p &#201;&#242;B           > 70 8F C9 F2 42 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000242F2CA7700, 16 bytes long.
 Data: <H &#201;&#242;B           > 48 8F C9 F2 42 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000242F2CA76B0, 16 bytes long.
 Data: <  &#201;&#242;B           > 20 8F C9 F2 42 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000242F2CA81A0, 16 bytes long.
 Data: <&#248;&#142;&#201;&#242;B           > F8 8E C9 F2 42 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000242F2CA02A0, 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 0x00000242F2CA80B0, 16 bytes long.
 Data: <&#208;&#142;&#201;&#242;B           > D0 8E C9 F2 42 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000242F2C98ED0, 320 bytes long.
 Data: <&#176; &#202;&#242;B   &#160; &#202;&#242;B   > B0 80 CA F2 42 02 00 00 A0 02 CA F2 42 02 00 00 
{274} normal block at 0x00000242F2CA8010, 16 bytes long.
 Data: <Pr&#202;&#242;B           > 50 72 CA F2 42 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000242F2CA8380, 16 bytes long.
 Data: <(r&#202;&#242;B           > 28 72 CA F2 42 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000242F2C9FB20, 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 0x00000242F2CA7D90, 16 bytes long.
 Data: < r&#202;&#242;B           > 00 72 CA F2 42 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000242F2CA00C0, 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 0x00000242F2CA7CA0, 16 bytes long.
 Data: <Hq&#202;&#242;B           > 48 71 CA F2 42 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000242F2CA7CF0, 16 bytes long.
 Data: < q&#202;&#242;B           > 20 71 CA F2 42 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000242F2CA7D40, 16 bytes long.
 Data: <&#248;p&#202;&#242;B           > F8 70 CA F2 42 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000242F2CA7660, 16 bytes long.
 Data: <&#208;p&#202;&#242;B           > D0 70 CA F2 42 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000242F2CA7840, 16 bytes long.
 Data: <&#168;p&#202;&#242;B           > A8 70 CA F2 42 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000242F2C9F5A0, 16 bytes long.
 Data: < p&#202;&#242;B           > 80 70 CA F2 42 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000242F2C9F2D0, 16 bytes long.
 Data: <Pl&#202;&#242;B           > 50 6C CA F2 42 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000242F2CA6C50, 40 bytes long.
 Data: <&#208;&#242;&#201;&#242;B   p&#206;&#148;&#244;B   > D0 F2 C9 F2 42 02 00 00 70 CE 94 F4 42 02 00 00 
{260} normal block at 0x00000242F2C9F140, 16 bytes long.
 Data: <`p&#202;&#242;B           > 60 70 CA F2 42 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000242F2C9F0F0, 16 bytes long.
 Data: <8p&#202;&#242;B           > 38 70 CA F2 42 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000242F2C9FEE0, 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 0x00000242F2C9F050, 16 bytes long.
 Data: < p&#202;&#242;B           > 10 70 CA F2 42 02 00 00 00 00 00 00 00 00 00 00 
{256} normal block at 0x00000242F2CA7010, 992 bytes long.
 Data: <P&#240;&#201;&#242;B   &#224;&#254;&#201;&#242;B   > 50 F0 C9 F2 42 02 00 00 E0 FE C9 F2 42 02 00 00 
{92} normal block at 0x00000242F2CA0300, 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 0x00000242F2C9EE20, 16 bytes long.
 Data: <pk&#202;&#242;B           > 70 6B CA F2 42 02 00 00 00 00 00 00 00 00 00 00 
{90} normal block at 0x00000242F2CA6B70, 40 bytes long.
 Data: < &#238;&#201;&#242;B     &#202;&#242;B   > 20 EE C9 F2 42 02 00 00 00 03 CA F2 42 02 00 00 
{69} normal block at 0x00000242F2C9EC40, 16 bytes long.
 Data: < &#234;{&#199;&#247;           > 80 EA 7B C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000242F2C9E830, 16 bytes long.
 Data: <@&#233;{&#199;&#247;           > 40 E9 7B C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000242F2C9EBF0, 16 bytes long.
 Data: <&#248;Wx&#199;&#247;           > F8 57 78 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000242F2C9F370, 16 bytes long.
 Data: <&#216;Wx&#199;&#247;           > D8 57 78 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000242F2C9EBA0, 16 bytes long.
 Data: <P x&#199;&#247;           > 50 04 78 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000242F2C9EA10, 16 bytes long.
 Data: <0 x&#199;&#247;           > 30 04 78 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000242F2C9EAB0, 16 bytes long.
 Data: <&#224; x&#199;&#247;           > E0 02 78 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000242F2C9EF10, 16 bytes long.
 Data: <  x&#199;&#247;           > 10 04 78 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000242F2C9F190, 16 bytes long.
 Data: <p x&#199;&#247;           > 70 04 78 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000242F2C9F320, 16 bytes long.
 Data: < &#192;v&#199;&#247;           > 18 C0 76 C7 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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