Task 38671478
| Name | test_915-GPUGRID_TEST_ATM_40STEP_20261023-17-40-RND7595_0 |
| Workunit | 31613683 |
| Created | 25 Oct 2026, 20:38:34 UTC |
| Sent | 25 Oct 2026, 20:38:39 UTC |
| Report deadline | 30 Oct 2026, 20:38:39 UTC |
| Received | 25 Oct 2026, 21:34:16 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 637827 |
| Run time | 49 min 26 sec |
| CPU time | 45 min 57 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 9,073.70 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 671.26 MB |
| Peak swap size | 5.26 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
22:42:16 (1432): wrapper (7.9.26016): starting
22:42:16 (1432): 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
22:42:17 (1432): Library/usr/bin/tar.exe exited; CPU time 0.015625
22:42:17 (1432): 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:\BOINC_Projects\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:\BOINC_Projects\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
23:31:13 (1432): C:/Windows/system32/cmd.exe exited; CPU time 2757.156250
23:31:13 (1432): called boinc_finish(0)
0 bytes in 0 Free Blocks.
192 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: 53811741 bytes.
Dumping objects ->
{3835241} normal block at 0x0000020B62C663B0, 48 bytes long.
Data: <PATH=D:\BOINC_Pr> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5F 50 72
{3835230} normal block at 0x0000020B648B6680, 32 bytes long.
Data: <HOME=D:\BOINC_Pr> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5F 50 72
{3835219} normal block at 0x0000020B648B64A0, 32 bytes long.
Data: <TMP=D:\BOINC_Pro> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5F 50 72 6F
{3835208} normal block at 0x0000020B648B63E0, 32 bytes long.
Data: <TEMP=D:\BOINC_Pr> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5F 50 72
{3835197} normal block at 0x0000020B62C670D0, 48 bytes long.
Data: <TMPDIR=D:\BOINC_> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5F
{3835166} normal block at 0x0000020B62C66DC0, 48 bytes long.
Data: <PATH=D:\BOINC_Pr> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5F 50 72
..\api\boinc_api.cpp(309) : {3835153} normal block at 0x0000020B62C375F0, 8 bytes long.
Data: < Zd > 00 00 5A 64 0B 02 00 00
{3833953} normal block at 0x0000020B62C375A0, 8 bytes long.
Data: <ð% d > F0 25 7F 64 0B 02 00 00
..\zip\boinc_zip.cpp(122) : {308} normal block at 0x0000020B62C41C80, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000020B62C2B110, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{292} normal block at 0x0000020B62C42A90, 16 bytes long.
Data: <xAÄb > 78 41 C4 62 0B 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000020B62C42EA0, 16 bytes long.
Data: <PAÄb > 50 41 C4 62 0B 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000020B62C3C180, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{289} normal block at 0x0000020B62C43490, 16 bytes long.
Data: <(AÄb > 28 41 C4 62 0B 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000020B62C42E00, 16 bytes long.
Data: < AÄb > 00 41 C4 62 0B 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000020B62C43580, 16 bytes long.
Data: <Ø@Äb > D8 40 C4 62 0B 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000020B62C43350, 16 bytes long.
Data: <°@Äb > B0 40 C4 62 0B 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000020B62C3DF20, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{284} normal block at 0x0000020B62C43800, 16 bytes long.
Data: < bÂb > 18 62 C2 62 0B 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x0000020B62C3BA60, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{282} normal block at 0x0000020B62C42C20, 16 bytes long.
Data: <ðaÂb > F0 61 C2 62 0B 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000020B62C43300, 16 bytes long.
Data: <ÈaÂb > C8 61 C2 62 0B 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000020B62C42B80, 16 bytes long.
Data: < aÂb > A0 61 C2 62 0B 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000020B62C43990, 16 bytes long.
Data: <xaÂb > 78 61 C2 62 0B 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000020B62C43260, 16 bytes long.
Data: <PaÂb > 50 61 C2 62 0B 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000020B62C43760, 16 bytes long.
Data: <(aÂb > 28 61 C2 62 0B 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000020B62C3C300, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{274} normal block at 0x0000020B62C43440, 16 bytes long.
Data: < aÂb > 00 61 C2 62 0B 02 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000020B62C26100, 320 bytes long.
Data: <@4Äb ÃÃb > 40 34 C4 62 0B 02 00 00 00 C3 C3 62 0B 02 00 00
{272} normal block at 0x0000020B62C43210, 16 bytes long.
Data: <@Äb > 90 40 C4 62 0B 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000020B62C43620, 16 bytes long.
Data: <h@Äb > 68 40 C4 62 0B 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000020B62C3C000, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{269} normal block at 0x0000020B62C43170, 16 bytes long.
Data: <@@Äb > 40 40 C4 62 0B 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000020B62C3BFA0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{267} normal block at 0x0000020B62C43940, 16 bytes long.
Data: < ?Äb > 88 3F C4 62 0B 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000020B62C43030, 16 bytes long.
Data: <`?Äb > 60 3F C4 62 0B 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000020B62C434E0, 16 bytes long.
Data: <8?Äb > 38 3F C4 62 0B 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000020B62C431C0, 16 bytes long.
Data: < ?Äb > 10 3F C4 62 0B 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000020B62C435D0, 16 bytes long.
Data: <è>Äb > E8 3E C4 62 0B 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000020B62C42D10, 16 bytes long.
Data: <À>Äb > C0 3E C4 62 0B 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000020B62C42FE0, 16 bytes long.
Data: < ÛÃb > A0 DB C3 62 0B 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000020B62C3DBA0, 40 bytes long.
Data: <à/Äb ÀmÆb > E0 2F C4 62 0B 02 00 00 C0 6D C6 62 0B 02 00 00
{258} normal block at 0x0000020B62C42DB0, 16 bytes long.
Data: < >Äb > A0 3E C4 62 0B 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000020B62C430D0, 16 bytes long.
Data: <x>Äb > 78 3E C4 62 0B 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000020B62C3C780, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{255} normal block at 0x0000020B62C42D60, 16 bytes long.
Data: <P>Äb > 50 3E C4 62 0B 02 00 00 00 00 00 00 00 00 00 00
{254} normal block at 0x0000020B62C43E50, 992 bytes long.
Data: <`-Äb €ÇÃb > 60 2D C4 62 0B 02 00 00 80 C7 C3 62 0B 02 00 00
{90} normal block at 0x0000020B62C3C600, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{89} normal block at 0x0000020B62C373C0, 16 bytes long.
Data: <°ÞÃb > B0 DE C3 62 0B 02 00 00 00 00 00 00 00 00 00 00
{88} normal block at 0x0000020B62C3DEB0, 40 bytes long.
Data: <ÀsÃb ÆÃb > C0 73 C3 62 0B 02 00 00 00 C6 C3 62 0B 02 00 00
{67} normal block at 0x0000020B62C37050, 16 bytes long.
Data: <€êù÷ > 80 EA F9 9D F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000020B62C372D0, 16 bytes long.
Data: <@éù÷ > 40 E9 F9 9D F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000020B62C37B40, 16 bytes long.
Data: <øWö÷ > F8 57 F6 9D F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000020B62C37960, 16 bytes long.
Data: <ØWö÷ > D8 57 F6 9D F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000020B62C37730, 16 bytes long.
Data: <P ö÷ > 50 04 F6 9D F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000020B62C37500, 16 bytes long.
Data: <0 ö÷ > 30 04 F6 9D F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000020B62C37280, 16 bytes long.
Data: <à ö÷ > E0 02 F6 9D F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000020B62C37A00, 16 bytes long.
Data: < ö÷ > 10 04 F6 9D F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000020B62C377D0, 16 bytes long.
Data: <p ö÷ > 70 04 F6 9D F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x0000020B62C37000, 16 bytes long.
Data: < Àô÷ > 18 C0 F4 9D F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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