Task 38685751

Name test_400-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND7124_0
Workunit 31627209
Created 27 Oct 2026, 22:44:59 UTC
Sent 27 Oct 2026, 22:45:05 UTC
Report deadline 1 Nov 2026, 22:45:05 UTC
Received 27 Oct 2026, 23:44:15 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 613320
Run time 41 min 56 sec
CPU time 41 min 56 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 50,491.95 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 748.94 MB
Peak swap size 10.02 GB
Peak disk usage 3.03 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:03:13 (22688): wrapper (7.9.26016): starting
00:03:13 (22688): 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
00:03:14 (22688): Library/usr/bin/tar.exe exited; CPU time 0.000000
00:03:14 (22688): 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
00:43:07 (22688): C:/Windows/system32/cmd.exe exited; CPU time 2516.531250
00:43:07 (22688): 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: 37845329 bytes.
Dumping objects ->
{3835498} normal block at 0x00000170FC2C6740, 48 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835487} normal block at 0x00000170FC2C6510, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835476} normal block at 0x00000170FC2C6A50, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835465} normal block at 0x00000170FC2C6890, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835454} normal block at 0x00000170FC2C6900, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835423} normal block at 0x00000170FE1840C0, 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) : {3835410} normal block at 0x00000170FC2BE050, 8 bytes long.
 Data: <  &#133;&#252;p   > 00 00 85 FC 70 01 00 00 
{3833963} normal block at 0x00000170FC2BE280, 8 bytes long.
 Data: <P&#218;*&#252;p   > 50 DA 2A FC 70 01 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x00000170FC2C15F0, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x00000170FC2B6DA0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x00000170FC2C5990, 16 bytes long.
 Data: <Xc,&#252;p           > 58 63 2C FC 70 01 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x00000170FC2C54E0, 16 bytes long.
 Data: <0c,&#252;p           > 30 63 2C FC 70 01 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x00000170FC2BFD60, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x00000170FC2C5B20, 16 bytes long.
 Data: < c,&#252;p           > 08 63 2C FC 70 01 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x00000170FC2C4D10, 16 bytes long.
 Data: <&#224;b,&#252;p           > E0 62 2C FC 70 01 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000170FC2C5940, 16 bytes long.
 Data: <&#184;b,&#252;p           > B8 62 2C FC 70 01 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000170FC2C5670, 16 bytes long.
 Data: < b,&#252;p           > 90 62 2C FC 70 01 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x00000170FC2C6580, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x00000170FC2C58F0, 16 bytes long.
 Data: <&#184;&#147;+&#252;p           > B8 93 2B FC 70 01 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000170FC2BF760, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x00000170FC2C5030, 16 bytes long.
 Data: < &#147;+&#252;p           > 90 93 2B FC 70 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x00000170FC2C5490, 16 bytes long.
 Data: <h&#147;+&#252;p           > 68 93 2B FC 70 01 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000170FC2C5260, 16 bytes long.
 Data: <@&#147;+&#252;p           > 40 93 2B FC 70 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x00000170FC2C4EA0, 16 bytes long.
 Data: < &#147;+&#252;p           > 18 93 2B FC 70 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x00000170FC2C5710, 16 bytes long.
 Data: <&#240;&#146;+&#252;p           > F0 92 2B FC 70 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000170FC2C4E00, 16 bytes long.
 Data: <&#200;&#146;+&#252;p           > C8 92 2B FC 70 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000170FC2BF7C0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x00000170FC2C5350, 16 bytes long.
 Data: <&#160;&#146;+&#252;p           > A0 92 2B FC 70 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000170FC2B92A0, 320 bytes long.
 Data: <PS,&#252;p   &#192;&#247;+&#252;p   > 50 53 2C FC 70 01 00 00 C0 F7 2B FC 70 01 00 00 
{277} normal block at 0x00000170FC2C4FE0, 16 bytes long.
 Data: <pb,&#252;p           > 70 62 2C FC 70 01 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000170FC2C5300, 16 bytes long.
 Data: <Hb,&#252;p           > 48 62 2C FC 70 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x00000170FC2BF220, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x00000170FC2C53A0, 16 bytes long.
 Data: < b,&#252;p           > 20 62 2C FC 70 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x00000170FC2BF400, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x00000170FC2C5620, 16 bytes long.
 Data: <ha,&#252;p           > 68 61 2C FC 70 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000170FC2C5BC0, 16 bytes long.
 Data: <@a,&#252;p           > 40 61 2C FC 70 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x00000170FC2C58A0, 16 bytes long.
 Data: < a,&#252;p           > 18 61 2C FC 70 01 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000170FC2C5760, 16 bytes long.
 Data: <&#240;`,&#252;p           > F0 60 2C FC 70 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x00000170FC2C5210, 16 bytes long.
 Data: <&#200;`,&#252;p           > C8 60 2C FC 70 01 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000170FC2C5580, 16 bytes long.
 Data: <&#160;`,&#252;p           > A0 60 2C FC 70 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000170FC2C5A80, 16 bytes long.
 Data: <&#192;&#241;*&#252;p           > C0 F1 2A FC 70 01 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000170FC2AF1C0, 40 bytes long.
 Data: < Z,&#252;p   &#192;@ &#254;p   > 80 5A 2C FC 70 01 00 00 C0 40 18 FE 70 01 00 00 
{263} normal block at 0x00000170FC2C4E50, 16 bytes long.
 Data: < `,&#252;p           > 80 60 2C FC 70 01 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x00000170FC2C5530, 16 bytes long.
 Data: <X`,&#252;p           > 58 60 2C FC 70 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000170FC2BF340, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x00000170FC2C5B70, 16 bytes long.
 Data: <0`,&#252;p           > 30 60 2C FC 70 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x00000170FC2C6030, 992 bytes long.
 Data: <p[,&#252;p   @&#243;+&#252;p   > 70 5B 2C FC 70 01 00 00 40 F3 2B FC 70 01 00 00 
{95} normal block at 0x00000170FC2BF640, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x00000170FC2BD8D0, 16 bytes long.
 Data: <P&#201;*&#252;p           > 50 C9 2A FC 70 01 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x00000170FC2AC950, 40 bytes long.
 Data: <&#208;&#216;+&#252;p   @&#246;+&#252;p   > D0 D8 2B FC 70 01 00 00 40 F6 2B FC 70 01 00 00 
{72} normal block at 0x00000170FC2BDFB0, 16 bytes long.
 Data: < &#234; &#177;&#246;           > 80 EA 81 B1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x00000170FC2BD5B0, 16 bytes long.
 Data: <@&#233; &#177;&#246;           > 40 E9 81 B1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x00000170FC2BDF60, 16 bytes long.
 Data: <&#248;W~&#177;&#246;           > F8 57 7E B1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x00000170FC2BDA10, 16 bytes long.
 Data: <&#216;W~&#177;&#246;           > D8 57 7E B1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x00000170FC2BDF10, 16 bytes long.
 Data: <P ~&#177;&#246;           > 50 04 7E B1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000170FC2BD880, 16 bytes long.
 Data: <0 ~&#177;&#246;           > 30 04 7E B1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000170FC2BDEC0, 16 bytes long.
 Data: <&#224; ~&#177;&#246;           > E0 02 7E B1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000170FC2BD650, 16 bytes long.
 Data: <  ~&#177;&#246;           > 10 04 7E B1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000170FC2BDB00, 16 bytes long.
 Data: <p ~&#177;&#246;           > 70 04 7E B1 F6 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000170FC2BDE20, 16 bytes long.
 Data: < &#192;|&#177;&#246;           > 18 C0 7C B1 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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