Task 38686290
| Name | test_981-GPUGRID_TEST_ATM_40STEP_20261023-26-40-RND4125_0 |
| Workunit | 31627726 |
| Created | 28 Oct 2026, 1:45:10 UTC |
| Sent | 28 Oct 2026, 1:45:17 UTC |
| Report deadline | 2 Nov 2026, 1:45:17 UTC |
| Received | 28 Oct 2026, 2:17:54 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 591854 |
| Run time | 30 min 42 sec |
| CPU time | 26 min 1 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 36,130.35 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 690.64 MB |
| Peak swap size | 3.93 GB |
| Peak disk usage | 3.78 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
18:48:24 (4236): wrapper (7.9.26016): starting
18:48:24 (4236): 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
18:48:26 (4236): Library/usr/bin/tar.exe exited; CPU time 0.000000
18:48:26 (4236): 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:\S0_4_Boinc-Ssd_mp_80GB\boinc\slots\4\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:\S0_4_Boinc-Ssd_mp_80GB\boinc\slots\4\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
19:16:55 (4236): C:/Windows/system32/cmd.exe exited; CPU time 1561.140625
19:16:55 (4236): called boinc_finish(0)
0 bytes in 0 Free Blocks.
476 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: 21212891 bytes.
Dumping objects ->
{3835275} normal block at 0x000001D3ECAB7390, 64 bytes long.
Data: <PATH=D:\S0_4_Boi> 50 41 54 48 3D 44 3A 5C 53 30 5F 34 5F 42 6F 69
{3835264} normal block at 0x000001D3EAF9B370, 48 bytes long.
Data: <HOME=D:\S0_4_Boi> 48 4F 4D 45 3D 44 3A 5C 53 30 5F 34 5F 42 6F 69
{3835253} normal block at 0x000001D3EAF9AB90, 48 bytes long.
Data: <TMP=D:\S0_4_Boin> 54 4D 50 3D 44 3A 5C 53 30 5F 34 5F 42 6F 69 6E
{3835242} normal block at 0x000001D3EAF9B7D0, 48 bytes long.
Data: <TEMP=D:\S0_4_Boi> 54 45 4D 50 3D 44 3A 5C 53 30 5F 34 5F 42 6F 69
{3835231} normal block at 0x000001D3EAF9B530, 48 bytes long.
Data: <TMPDIR=D:\S0_4_B> 54 4D 50 44 49 52 3D 44 3A 5C 53 30 5F 34 5F 42
{3835200} normal block at 0x000001D3ECAB7510, 64 bytes long.
Data: <PATH=D:\S0_4_Boi> 50 41 54 48 3D 44 3A 5C 53 30 5F 34 5F 42 6F 69
{3835189} normal block at 0x000001D3ECAD0BF0, 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) : {3835186} normal block at 0x000001D3EAF72620, 8 bytes long.
Data: < @ëÓ > 00 00 40 EB D3 01 00 00
{3834579} normal block at 0x000001D3ECAD10C0, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833989} normal block at 0x000001D3EAF721C0, 8 bytes long.
Data: < º°ìÓ > A0 BA B0 EC D3 01 00 00
..\zip\boinc_zip.cpp(122) : {326} normal block at 0x000001D3EAF73630, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{311} normal block at 0x000001D3EAF67720, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{310} normal block at 0x000001D3EAF776F0, 16 bytes long.
Data: <X‰÷êÓ > 58 89 F7 EA D3 01 00 00 00 00 00 00 00 00 00 00
{309} normal block at 0x000001D3EAF77830, 16 bytes long.
Data: <0‰÷êÓ > 30 89 F7 EA D3 01 00 00 00 00 00 00 00 00 00 00
{308} normal block at 0x000001D3EAF6F070, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{307} normal block at 0x000001D3EAF776A0, 16 bytes long.
Data: < ‰÷êÓ > 08 89 F7 EA D3 01 00 00 00 00 00 00 00 00 00 00
{306} normal block at 0x000001D3EAF77B00, 16 bytes long.
Data: <à ÷êÓ > E0 88 F7 EA D3 01 00 00 00 00 00 00 00 00 00 00
{305} normal block at 0x000001D3EAF77A10, 16 bytes long.
Data: <¸ ÷êÓ > B8 88 F7 EA D3 01 00 00 00 00 00 00 00 00 00 00
{304} normal block at 0x000001D3EAF77CE0, 16 bytes long.
Data: < ÷êÓ > 90 88 F7 EA D3 01 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x000001D3EAF70340, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{302} normal block at 0x000001D3EAF78230, 16 bytes long.
Data: <ø§öêÓ > F8 A7 F6 EA D3 01 00 00 00 00 00 00 00 00 00 00
{301} normal block at 0x000001D3EAF6F5B0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{300} normal block at 0x000001D3EAF77650, 16 bytes long.
Data: <ЧöêÓ > D0 A7 F6 EA D3 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x000001D3EAF78280, 16 bytes long.
Data: <¨§öêÓ > A8 A7 F6 EA D3 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000001D3EAF782D0, 16 bytes long.
Data: < §öêÓ > 80 A7 F6 EA D3 01 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000001D3EAF77DD0, 16 bytes long.
Data: <X§öêÓ > 58 A7 F6 EA D3 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x000001D3EAF77560, 16 bytes long.
Data: <0§öêÓ > 30 A7 F6 EA D3 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000001D3EAF78140, 16 bytes long.
Data: < §öêÓ > 08 A7 F6 EA D3 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000001D3EAF6F730, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{292} normal block at 0x000001D3EAF77510, 16 bytes long.
Data: <à¦öêÓ > E0 A6 F6 EA D3 01 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000001D3EAF6A6E0, 320 bytes long.
Data: < u÷êÓ 0÷öêÓ > 10 75 F7 EA D3 01 00 00 30 F7 F6 EA D3 01 00 00
{290} normal block at 0x000001D3EAF778D0, 16 bytes long.
Data: <p ÷êÓ > 70 88 F7 EA D3 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000001D3EAF781E0, 16 bytes long.
Data: <H ÷êÓ > 48 88 F7 EA D3 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x000001D3EAF6EE90, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{287} normal block at 0x000001D3EAF77600, 16 bytes long.
Data: < ÷êÓ > 20 88 F7 EA D3 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000001D3EAF6F190, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{285} normal block at 0x000001D3EAF77740, 16 bytes long.
Data: <h‡÷êÓ > 68 87 F7 EA D3 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000001D3EAF78410, 16 bytes long.
Data: <@‡÷êÓ > 40 87 F7 EA D3 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000001D3EAF783C0, 16 bytes long.
Data: < ‡÷êÓ > 18 87 F7 EA D3 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000001D3EAF775B0, 16 bytes long.
Data: <ð†÷êÓ > F0 86 F7 EA D3 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000001D3EAF777E0, 16 bytes long.
Data: <Ȇ÷êÓ > C8 86 F7 EA D3 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x000001D3EAF779C0, 16 bytes long.
Data: < †÷êÓ > A0 86 F7 EA D3 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000001D3EAF78320, 16 bytes long.
Data: <0 ÷êÓ > 30 07 F7 EA D3 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000001D3EAF70730, 40 bytes long.
Data: < ƒ÷êÓ u«ìÓ > 20 83 F7 EA D3 01 00 00 10 75 AB EC D3 01 00 00
{276} normal block at 0x000001D3EAF77880, 16 bytes long.
Data: < †÷êÓ > 80 86 F7 EA D3 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000001D3EAF774C0, 16 bytes long.
Data: <X†÷êÓ > 58 86 F7 EA D3 01 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000001D3EAF6F550, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{273} normal block at 0x000001D3EAF780F0, 16 bytes long.
Data: <0†÷êÓ > 30 86 F7 EA D3 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000001D3EAF78630, 992 bytes long.
Data: <ð ÷êÓ PõöêÓ > F0 80 F7 EA D3 01 00 00 50 F5 F6 EA D3 01 00 00
{108} normal block at 0x000001D3EAF6F670, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{107} normal block at 0x000001D3EAF71B80, 16 bytes long.
Data: <À ÷êÓ > C0 06 F7 EA D3 01 00 00 00 00 00 00 00 00 00 00
{106} normal block at 0x000001D3EAF706C0, 40 bytes long.
Data: < ÷êÓ pööêÓ > 80 1B F7 EA D3 01 00 00 70 F6 F6 EA D3 01 00 00
{85} normal block at 0x000001D3EAF71FE0, 16 bytes long.
Data: < êÈÌ÷ > 80 EA C8 CC F7 7F 00 00 00 00 00 00 00 00 00 00
{84} normal block at 0x000001D3EAF71E00, 16 bytes long.
Data: <@éÈÌ÷ > 40 E9 C8 CC F7 7F 00 00 00 00 00 00 00 00 00 00
{83} normal block at 0x000001D3EAF71AE0, 16 bytes long.
Data: <øWÅÌ÷ > F8 57 C5 CC F7 7F 00 00 00 00 00 00 00 00 00 00
{82} normal block at 0x000001D3EAF71CC0, 16 bytes long.
Data: <ØWÅÌ÷ > D8 57 C5 CC F7 7F 00 00 00 00 00 00 00 00 00 00
{81} normal block at 0x000001D3EAF72580, 16 bytes long.
Data: <P ÅÌ÷ > 50 04 C5 CC F7 7F 00 00 00 00 00 00 00 00 00 00
{80} normal block at 0x000001D3EAF72440, 16 bytes long.
Data: <0 ÅÌ÷ > 30 04 C5 CC F7 7F 00 00 00 00 00 00 00 00 00 00
{79} normal block at 0x000001D3EAF72A30, 16 bytes long.
Data: <à ÅÌ÷ > E0 02 C5 CC F7 7F 00 00 00 00 00 00 00 00 00 00
{78} normal block at 0x000001D3EAF727B0, 16 bytes long.
Data: < ÅÌ÷ > 10 04 C5 CC F7 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x000001D3EAF729E0, 16 bytes long.
Data: <p ÅÌ÷ > 70 04 C5 CC F7 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x000001D3EAF725D0, 16 bytes long.
Data: < ÀÃÌ÷ > 18 C0 C3 CC F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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