Task 38660978
| Name | test_723-GPUGRID_TEST_ATM_40STEP_20261023-7-40-RND5008_0 |
| Workunit | 31604434 |
| Created | 24 Oct 2026, 15:01:37 UTC |
| Sent | 24 Oct 2026, 15:08:32 UTC |
| Report deadline | 29 Oct 2026, 15:08:32 UTC |
| Received | 24 Oct 2026, 16:20:32 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 494803 |
| Run time | 29 min 11 sec |
| CPU time | 26 min 52 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 12,067.36 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 675.42 MB |
| Peak swap size | 3.81 GB |
| Peak disk usage | 3.02 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
17:50:40 (2908): wrapper (7.9.26016): starting
17:50:40 (2908): 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
17:50:41 (2908): Library/usr/bin/tar.exe exited; CPU time 0.015625
17:50:41 (2908): 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\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\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.
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
18:18:46 (2908): C:/Windows/system32/cmd.exe exited; CPU time 1612.500000
18:18:46 (2908): called boinc_finish(0)
0 bytes in 0 Free Blocks.
176 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: 29371717 bytes.
Dumping objects ->
{3835522} normal block at 0x0000022727B065D0, 48 bytes long.
Data: <PATH=E:\BOINC\sl> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835511} normal block at 0x0000022729695310, 32 bytes long.
Data: <HOME=E:\BOINC\sl> 48 4F 4D 45 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835500} normal block at 0x0000022729695AF0, 32 bytes long.
Data: <TMP=E:\BOINC\slo> 54 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C 6F
{3835489} normal block at 0x0000022729695010, 32 bytes long.
Data: <TEMP=E:\BOINC\sl> 54 45 4D 50 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C
{3835478} normal block at 0x0000022729695070, 32 bytes long.
Data: <TMPDIR=E:\BOINC\> 54 4D 50 44 49 52 3D 45 3A 5C 42 4F 49 4E 43 5C
{3835447} normal block at 0x0000022727B06100, 48 bytes long.
Data: <PATH=E:\BOINC\sl> 50 41 54 48 3D 45 3A 5C 42 4F 49 4E 43 5C 73 6C
..\api\boinc_api.cpp(309) : {3835434} normal block at 0x0000022727AD7100, 8 bytes long.
Data: < N)' > 00 00 4E 29 27 02 00 00
{3833955} normal block at 0x0000022727AD7240, 8 bytes long.
Data: <`pn)' > 60 70 6E 29 27 02 00 00
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x0000022727AE1730, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x0000022727ADCDF0, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{293} normal block at 0x0000022727AE2810, 16 bytes long.
Data: <(<®'' > 28 3C AE 27 27 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000022727AE3490, 16 bytes long.
Data: < <®'' > 00 3C AE 27 27 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x0000022727ADC1B0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{290} normal block at 0x0000022727AE2FE0, 16 bytes long.
Data: <Ø;®'' > D8 3B AE 27 27 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000022727AE26D0, 16 bytes long.
Data: <°;®'' > B0 3B AE 27 27 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000022727AE2F40, 16 bytes long.
Data: < ;®'' > 88 3B AE 27 27 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000022727AE2860, 16 bytes long.
Data: <`;®'' > 60 3B AE 27 27 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x0000022727ADD560, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{285} normal block at 0x0000022727AE2EF0, 16 bytes long.
Data: <Ø^¬'' > D8 5E AC 27 27 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x0000022727ADBB50, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{283} normal block at 0x0000022727AE33F0, 16 bytes long.
Data: <°^¬'' > B0 5E AC 27 27 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000022727AE2F90, 16 bytes long.
Data: < ^¬'' > 88 5E AC 27 27 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000022727AE27C0, 16 bytes long.
Data: <`^¬'' > 60 5E AC 27 27 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000022727AE3120, 16 bytes long.
Data: <8^¬'' > 38 5E AC 27 27 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000022727AE33A0, 16 bytes long.
Data: < ^¬'' > 10 5E AC 27 27 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000022727AE2E50, 16 bytes long.
Data: <è]¬'' > E8 5D AC 27 27 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x0000022727ADB670, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{275} normal block at 0x0000022727AE3440, 16 bytes long.
Data: <À]¬'' > C0 5D AC 27 27 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x0000022727AC5DC0, 320 bytes long.
Data: <@4®'' p¶­'' > 40 34 AE 27 27 02 00 00 70 B6 AD 27 27 02 00 00
{273} normal block at 0x0000022727AE2E00, 16 bytes long.
Data: <@;®'' > 40 3B AE 27 27 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000022727AE2CC0, 16 bytes long.
Data: < ;®'' > 18 3B AE 27 27 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x0000022727ADBAF0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{270} normal block at 0x0000022727AE2C20, 16 bytes long.
Data: <ð:®'' > F0 3A AE 27 27 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x0000022727ADBFD0, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{268} normal block at 0x0000022727AE2DB0, 16 bytes long.
Data: <8:®'' > 38 3A AE 27 27 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000022727AE3210, 16 bytes long.
Data: < :®'' > 10 3A AE 27 27 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000022727AE2BD0, 16 bytes long.
Data: <è9®'' > E8 39 AE 27 27 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000022727AE2770, 16 bytes long.
Data: <À9®'' > C0 39 AE 27 27 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000022727AE2A40, 16 bytes long.
Data: < 9®'' > 98 39 AE 27 27 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x0000022727AE2D60, 16 bytes long.
Data: <p9®'' > 70 39 AE 27 27 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000022727AE2680, 16 bytes long.
Data: < Ô­'' > 10 D4 AD 27 27 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x0000022727ADD410, 40 bytes long.
Data: < &®'' a°'' > 80 26 AE 27 27 02 00 00 00 61 B0 27 27 02 00 00
{259} normal block at 0x0000022727AE29F0, 16 bytes long.
Data: <P9®'' > 50 39 AE 27 27 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000022727AE3080, 16 bytes long.
Data: <(9®'' > 28 39 AE 27 27 02 00 00 00 00 00 00 00 00 00 00
{257} normal block at 0x0000022727ADC390, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{256} normal block at 0x0000022727AE28B0, 16 bytes long.
Data: < 9®'' > 00 39 AE 27 27 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x0000022727AE3900, 992 bytes long.
Data: <°(®'' í'' > B0 28 AE 27 27 02 00 00 90 C3 AD 27 27 02 00 00
{91} normal block at 0x0000022727ADB910, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{90} normal block at 0x0000022727AD6CF0, 16 bytes long.
Data: < Ó­'' > A0 D3 AD 27 27 02 00 00 00 00 00 00 00 00 00 00
{89} normal block at 0x0000022727ADD3A0, 40 bytes long.
Data: <ðl­'' ¹­'' > F0 6C AD 27 27 02 00 00 10 B9 AD 27 27 02 00 00
{68} normal block at 0x0000022727AD6B60, 16 bytes long.
Data: < ê áö > 80 EA 0D E1 F6 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000022727AD6A20, 16 bytes long.
Data: <@é áö > 40 E9 0D E1 F6 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000022727AD6F70, 16 bytes long.
Data: <øW áö > F8 57 0A E1 F6 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000022727AD72E0, 16 bytes long.
Data: <ØW áö > D8 57 0A E1 F6 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000022727AD76A0, 16 bytes long.
Data: <P áö > 50 04 0A E1 F6 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000022727AD7600, 16 bytes long.
Data: <0 áö > 30 04 0A E1 F6 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000022727AD68E0, 16 bytes long.
Data: <à áö > E0 02 0A E1 F6 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000022727AD69D0, 16 bytes long.
Data: < áö > 10 04 0A E1 F6 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000022727AD7380, 16 bytes long.
Data: <p áö > 70 04 0A E1 F6 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x0000022727AD7150, 16 bytes long.
Data: < À áö > 18 C0 08 E1 F6 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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