Task 38687977
| Name | test_105-GPUGRID_TEST_ATM_40STEP_20261023-35-40-RND9917_0 |
| Workunit | 31629347 |
| Created | 28 Oct 2026, 10:51:20 UTC |
| Sent | 28 Oct 2026, 10:51:22 UTC |
| Report deadline | 2 Nov 2026, 10:51:22 UTC |
| Received | 28 Oct 2026, 19:56:15 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 648117 |
| Run time | 23 min 15 sec |
| CPU time | 20 min 35 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 32,121.39 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 702.32 MB |
| Peak swap size | 6.95 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
12:27:14 (23464): wrapper (7.9.26016): starting
12:27:14 (23464): 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
12:27:15 (23464): Library/usr/bin/tar.exe exited; CPU time 0.015625
12:27:15 (23464): 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 'E:\BOINC\data\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 'E:\BOINC\data\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.
20:44:16 (38368): wrapper (7.9.26016): starting
20:44:16 (38368): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file E:\BOINC\data\slots\1\tmp already exists.
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
20:54:42 (38368): C:/Windows/system32/cmd.exe exited; CPU time 561.250000
20:54:42 (38368): called boinc_finish(0)
0 bytes in 0 Free Blocks.
380 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: 14220503 bytes.
Dumping objects ->
{1648} normal block at 0x0000019FC3C55C70, 48 bytes long.
Data: <PATH=E:\BOINC\da> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 64 61
{1637} normal block at 0x0000019FC3C52880, 32 bytes long.
Data: <HOME=E:\BOINC\da> 48 4F 4D 45 3D 45 3A 5C 42 4F 49 4E 43 5C 64 61
{1626} normal block at 0x0000019FC3C528E0, 32 bytes long.
Data: <TMP=E:\BOINC\dat> 54 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 64 61 74
{1615} normal block at 0x0000019FC3C52820, 32 bytes long.
Data: <TEMP=E:\BOINC\da> 54 45 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 64 61
{1604} normal block at 0x0000019FC3C52700, 32 bytes long.
Data: <TMPDIR=E:\BOINC\> 54 4D 50 44 49 52 3D 45 3A 5C 42 4F 49 4E 43 5C
{1573} normal block at 0x0000019FC3C55C00, 48 bytes long.
Data: <PATH=E:\BOINC\da> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 64 61
{1562} normal block at 0x0000019FC3C573C0, 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) : {1559} normal block at 0x0000019FC3C58040, 8 bytes long.
Data: < > 00 00 13 C4 9F 01 00 00
{927} normal block at 0x0000019FC3C57480, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{314} normal block at 0x0000019FC3C57730, 8 bytes long.
Data: <@o > 40 6F C5 C3 9F 01 00 00
{305} normal block at 0x0000019FC3C493D0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{304} normal block at 0x0000019FC3C57FF0, 16 bytes long.
Data: < > 88 88 C5 C3 9F 01 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x0000019FC3C57D70, 16 bytes long.
Data: <` > 60 88 C5 C3 9F 01 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x0000019FC3C52E80, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{301} normal block at 0x0000019FC3C576E0, 16 bytes long.
Data: <8 > 38 88 C5 C3 9F 01 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x0000019FC3C57A50, 16 bytes long.
Data: < > 10 88 C5 C3 9F 01 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x0000019FC3C57690, 16 bytes long.
Data: < > E8 87 C5 C3 9F 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x0000019FC3C57640, 16 bytes long.
Data: < > C0 87 C5 C3 9F 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x0000019FC3C55EA0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{296} normal block at 0x0000019FC3C57960, 16 bytes long.
Data: < > 18 20 C5 C3 9F 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x0000019FC3C522E0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{294} normal block at 0x0000019FC3C584F0, 16 bytes long.
Data: < > F0 1F C5 C3 9F 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000019FC3C57F50, 16 bytes long.
Data: < > C8 1F C5 C3 9F 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000019FC3C57CD0, 16 bytes long.
Data: < > A0 1F C5 C3 9F 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000019FC3C581D0, 16 bytes long.
Data: <x > 78 1F C5 C3 9F 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000019FC3C575F0, 16 bytes long.
Data: <P > 50 1F C5 C3 9F 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000019FC3C584A0, 16 bytes long.
Data: <( > 28 1F C5 C3 9F 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000019FC3C52460, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{286} normal block at 0x0000019FC3C57F00, 16 bytes long.
Data: < > 00 1F C5 C3 9F 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000019FC3C51F00, 320 bytes long.
Data: < `$ > 00 7F C5 C3 9F 01 00 00 60 24 C5 C3 9F 01 00 00
{284} normal block at 0x0000019FC3C57FA0, 16 bytes long.
Data: < > A0 87 C5 C3 9F 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000019FC3C58450, 16 bytes long.
Data: <x > 78 87 C5 C3 9F 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000019FC3C52B20, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{281} normal block at 0x0000019FC3C57870, 16 bytes long.
Data: <P > 50 87 C5 C3 9F 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000019FC3C52AC0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{279} normal block at 0x0000019FC3C57A00, 16 bytes long.
Data: < > 98 86 C5 C3 9F 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000019FC3C58400, 16 bytes long.
Data: <p > 70 86 C5 C3 9F 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000019FC3C57820, 16 bytes long.
Data: <H > 48 86 C5 C3 9F 01 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000019FC3C583B0, 16 bytes long.
Data: < > 20 86 C5 C3 9F 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000019FC3C58310, 16 bytes long.
Data: < > F8 85 C5 C3 9F 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000019FC3C582C0, 16 bytes long.
Data: < > D0 85 C5 C3 9F 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000019FC3C578C0, 16 bytes long.
Data: <P] > 50 5D C5 C3 9F 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000019FC3C55D50, 40 bytes long.
Data: < x \ > C0 78 C5 C3 9F 01 00 00 00 5C C5 C3 9F 01 00 00
{270} normal block at 0x0000019FC3C58270, 16 bytes long.
Data: < > B0 85 C5 C3 9F 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000019FC3C575A0, 16 bytes long.
Data: < > 88 85 C5 C3 9F 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000019FC3C52400, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{267} normal block at 0x0000019FC3C579B0, 16 bytes long.
Data: <` > 60 85 C5 C3 9F 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000019FC3C58560, 992 bytes long.
Data: < y $ > B0 79 C5 C3 9F 01 00 00 00 24 C5 C3 9F 01 00 00
{102} normal block at 0x0000019FC3C52520, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{101} normal block at 0x0000019FC3C50F80, 16 bytes long.
Data: < [ > 90 5B C5 C3 9F 01 00 00 00 00 00 00 00 00 00 00
{100} normal block at 0x0000019FC3C55B90, 40 bytes long.
Data: < % > 80 0F C5 C3 9F 01 00 00 20 25 C5 C3 9F 01 00 00
{79} normal block at 0x0000019FC3C50DA0, 16 bytes long.
Data: < >} > 80 EA 3E 7D F6 7F 00 00 00 00 00 00 00 00 00 00
{78} normal block at 0x0000019FC3C50760, 16 bytes long.
Data: <@ >} > 40 E9 3E 7D F6 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x0000019FC3C508A0, 16 bytes long.
Data: < W;} > F8 57 3B 7D F6 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x0000019FC3C507B0, 16 bytes long.
Data: < W;} > D8 57 3B 7D F6 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x0000019FC3C50A30, 16 bytes long.
Data: <P ;} > 50 04 3B 7D F6 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x0000019FC3C50350, 16 bytes long.
Data: <0 ;} > 30 04 3B 7D F6 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x0000019FC3C50CB0, 16 bytes long.
Data: < ;} > E0 02 3B 7D F6 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x0000019FC3C50850, 16 bytes long.
Data: < ;} > 10 04 3B 7D F6 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x0000019FC3C50E90, 16 bytes long.
Data: <p ;} > 70 04 3B 7D F6 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x0000019FC3C51020, 16 bytes long.
Data: < 9} > 18 C0 39 7D F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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