Task 38683525
| Name | test_713-GPUGRID_TEST_ATM_40STEP_20261023-16-40-RND8003_0 |
| Workunit | 31625079 |
| Created | 27 Oct 2026, 12:08:02 UTC |
| Sent | 27 Oct 2026, 12:08:05 UTC |
| Report deadline | 1 Nov 2026, 12:08:05 UTC |
| Received | 27 Oct 2026, 13:28:35 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 616686 |
| Run time | 56 min 44 sec |
| CPU time | 41 min |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 9,849.38 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 734.88 MB |
| Peak swap size | 9.91 GB |
| Peak disk usage | 3.91 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
08:33:44 (35332): wrapper (7.9.26016): starting
08:33:44 (35332): 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
08:33:46 (35332): Library/usr/bin/tar.exe exited; CPU time 0.000000
08:33:46 (35332): 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 'D:\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 'D:\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
09:28:28 (35332): C:/Windows/system32/cmd.exe exited; CPU time 2460.921875
09:28:28 (35332): 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: 91230869 bytes.
Dumping objects ->
{3835431} normal block at 0x000001E3C5BE2600, 48 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835420} normal block at 0x000001E3C5BE2590, 48 bytes long.
Data: <HOME=D:\ProgramD> 48 4F 4D 45 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835409} normal block at 0x000001E3C5BE2280, 48 bytes long.
Data: <TMP=D:\ProgramDa> 54 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835398} normal block at 0x000001E3C3F716D0, 48 bytes long.
Data: <TEMP=D:\ProgramD> 54 45 4D 50 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
{3835387} normal block at 0x000001E3C3F71580, 48 bytes long.
Data: <TMPDIR=D:\Progra> 54 4D 50 44 49 52 3D 44 3A 5C 50 72 6F 67 72 61
{3835356} normal block at 0x000001E3C5C5BD00, 64 bytes long.
Data: <PATH=D:\ProgramD> 50 41 54 48 3D 44 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {3835343} normal block at 0x000001E3C3F6B5C0, 8 bytes long.
Data: < ¹Åã > 00 00 B9 C5 E3 01 00 00
{3833957} normal block at 0x000001E3C3F6B110, 8 bytes long.
Data: < h×Åã > 10 68 D7 C5 E3 01 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x000001E3C3F5F190, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001E3C3F5B0C0, 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 0x000001E3C3F733B0, 16 bytes long.
Data: <hC÷Ãã > 68 43 F7 C3 E3 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001E3C3F737C0, 16 bytes long.
Data: <@C÷Ãã > 40 43 F7 C3 E3 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000001E3C3F6D160, 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 0x000001E3C3F73950, 16 bytes long.
Data: < C÷Ãã > 18 43 F7 C3 E3 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000001E3C3F732C0, 16 bytes long.
Data: <ðB÷Ãã > F0 42 F7 C3 E3 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001E3C3F73270, 16 bytes long.
Data: <ÈB÷Ãã > C8 42 F7 C3 E3 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001E3C3F73AE0, 16 bytes long.
Data: < B÷Ãã > A0 42 F7 C3 E3 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000001E3C3F71890, 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 0x000001E3C3F73720, 16 bytes long.
Data: <¸àõÃã > B8 E0 F5 C3 E3 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000001E3C3F6DC40, 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 0x000001E3C3F72D70, 16 bytes long.
Data: < àõÃã > 90 E0 F5 C3 E3 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001E3C3F73130, 16 bytes long.
Data: <hàõÃã > 68 E0 F5 C3 E3 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001E3C3F730E0, 16 bytes long.
Data: <@àõÃã > 40 E0 F5 C3 E3 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001E3C3F73680, 16 bytes long.
Data: < àõÃã > 18 E0 F5 C3 E3 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000001E3C3F739A0, 16 bytes long.
Data: <ðßõÃã > F0 DF F5 C3 E3 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001E3C3F73900, 16 bytes long.
Data: <ÈßõÃã > C8 DF F5 C3 E3 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001E3C3F6DA60, 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 0x000001E3C3F73220, 16 bytes long.
Data: < ßõÃã > A0 DF F5 C3 E3 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001E3C3F5DFA0, 320 bytes long.
Data: < 2÷Ãã `ÚöÃã > 20 32 F7 C3 E3 01 00 00 60 DA F6 C3 E3 01 00 00
{274} normal block at 0x000001E3C3F738B0, 16 bytes long.
Data: < B÷Ãã > 80 42 F7 C3 E3 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x000001E3C3F739F0, 16 bytes long.
Data: <XB÷Ãã > 58 42 F7 C3 E3 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001E3C3F6DA00, 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 0x000001E3C3F73810, 16 bytes long.
Data: <0B÷Ãã > 30 42 F7 C3 E3 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000001E3C3F6DB20, 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 0x000001E3C3F73310, 16 bytes long.
Data: <xA÷Ãã > 78 41 F7 C3 E3 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000001E3C3F72F50, 16 bytes long.
Data: <PA÷Ãã > 50 41 F7 C3 E3 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000001E3C3F736D0, 16 bytes long.
Data: <(A÷Ãã > 28 41 F7 C3 E3 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000001E3C3F73A90, 16 bytes long.
Data: < A÷Ãã > 00 41 F7 C3 E3 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000001E3C3F735E0, 16 bytes long.
Data: <Ø@÷Ãã > D8 40 F7 C3 E3 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000001E3C3F73180, 16 bytes long.
Data: <°@÷Ãã > B0 40 F7 C3 E3 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000001E3C3F72FA0, 16 bytes long.
Data: <° ÷Ãã > B0 17 F7 C3 E3 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000001E3C3F717B0, 40 bytes long.
Data: < /÷Ãã ½ÅÅã > A0 2F F7 C3 E3 01 00 00 00 BD C5 C5 E3 01 00 00
{260} normal block at 0x000001E3C3F73090, 16 bytes long.
Data: < @÷Ãã > 90 40 F7 C3 E3 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000001E3C3F72F00, 16 bytes long.
Data: <h@÷Ãã > 68 40 F7 C3 E3 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000001E3C3F6DCA0, 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 0x000001E3C3F73860, 16 bytes long.
Data: <@@÷Ãã > 40 40 F7 C3 E3 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000001E3C3F74040, 992 bytes long.
Data: <`8÷Ãã  ÜöÃã > 60 38 F7 C3 E3 01 00 00 A0 DC F6 C3 E3 01 00 00
{92} normal block at 0x000001E3C3F6DB80, 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 0x000001E3C3F6B020, 16 bytes long.
Data: < ÷Ãã > 20 18 F7 C3 E3 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x000001E3C3F71820, 40 bytes long.
Data: < °öÃã ÛöÃã > 20 B0 F6 C3 E3 01 00 00 80 DB F6 C3 E3 01 00 00
{69} normal block at 0x000001E3C3F6B0C0, 16 bytes long.
Data: < êYF÷ > 80 EA 59 46 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000001E3C3F6BA70, 16 bytes long.
Data: <@éYF÷ > 40 E9 59 46 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000001E3C3F6AE90, 16 bytes long.
Data: <øWVF÷ > F8 57 56 46 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000001E3C3F6B610, 16 bytes long.
Data: <ØWVF÷ > D8 57 56 46 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000001E3C3F6B9D0, 16 bytes long.
Data: <P VF÷ > 50 04 56 46 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000001E3C3F6AE40, 16 bytes long.
Data: <0 VF÷ > 30 04 56 46 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000001E3C3F6AC10, 16 bytes long.
Data: <à VF÷ > E0 02 56 46 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000001E3C3F6B200, 16 bytes long.
Data: < VF÷ > 10 04 56 46 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000001E3C3F6B980, 16 bytes long.
Data: <p VF÷ > 70 04 56 46 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000001E3C3F6B840, 16 bytes long.
Data: < ÀTF÷ > 18 C0 54 46 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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