Task 38670411
| Name | test_787-GPUGRID_TEST_ATM_40STEP_20261023-13-40-RND1956_0 |
| Workunit | 31612663 |
| Created | 25 Oct 2026, 17:26:30 UTC |
| Sent | 25 Oct 2026, 17:26:36 UTC |
| Report deadline | 30 Oct 2026, 17:26:36 UTC |
| Received | 25 Oct 2026, 18:25:19 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 624458 |
| Run time | 19 min 31 sec |
| CPU time | 18 min 55 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 44,355.63 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 744.27 MB |
| Peak swap size | 13.01 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.8</core_client_version>
<![CDATA[
<stderr_txt>
14:06:05 (14804): wrapper (7.9.26016): starting
14:06:05 (14804): 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
14:06:06 (14804): Library/usr/bin/tar.exe exited; CPU time 0.000000
14:06:06 (14804): 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 'C:\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 'C:\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
14:24:55 (14804): C:/Windows/system32/cmd.exe exited; CPU time 1135.437500
14:24:55 (14804): called boinc_finish(0)
0 bytes in 0 Free Blocks.
460 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: 15972581 bytes.
Dumping objects ->
{3835562} normal block at 0x00000170AADEB7B0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835551} normal block at 0x00000170AADEB580, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835540} normal block at 0x00000170AADEB740, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835529} normal block at 0x00000170AADEB6D0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835518} normal block at 0x00000170AADEB0B0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835487} normal block at 0x00000170AADE9EE0, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835476} normal block at 0x00000170ACB2E3B0, 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) : {3835473} normal block at 0x00000170AADBF2B0, 8 bytes long.
Data: < تp > 00 00 D8 AA 70 01 00 00
{3834695} normal block at 0x00000170ACB2E670, 102 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833967} normal block at 0x00000170AADBF490, 8 bytes long.
Data: <ÐH·¬p > D0 48 B7 AC 70 01 00 00
..\zip\boinc_zip.cpp(122) : {315} normal block at 0x00000170AADC1140, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x00000170AADB6640, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{299} normal block at 0x00000170AADC64F0, 16 bytes long.
Data: <ÈWܪp > C8 57 DC AA 70 01 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000170AADC64A0, 16 bytes long.
Data: < Wܪp > A0 57 DC AA 70 01 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000170AADC02B0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{296} normal block at 0x00000170AADC5D20, 16 bytes long.
Data: <xWܪp > 78 57 DC AA 70 01 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000170AADC5CD0, 16 bytes long.
Data: <PWܪp > 50 57 DC AA 70 01 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x00000170AADC6040, 16 bytes long.
Data: <(Wܪp > 28 57 DC AA 70 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x00000170AADC5A00, 16 bytes long.
Data: < Wܪp > 00 57 DC AA 70 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000170AADC3FA0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{291} normal block at 0x00000170AADC5BE0, 16 bytes long.
Data: <è¶Úªp > E8 B6 DA AA 70 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000170AADC0790, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{289} normal block at 0x00000170AADC6630, 16 bytes long.
Data: <À¶Úªp > C0 B6 DA AA 70 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000170AADC5FA0, 16 bytes long.
Data: < ¶Úªp > 98 B6 DA AA 70 01 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x00000170AADC6770, 16 bytes long.
Data: <p¶Úªp > 70 B6 DA AA 70 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000170AADC6450, 16 bytes long.
Data: <H¶Úªp > 48 B6 DA AA 70 01 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x00000170AADC6720, 16 bytes long.
Data: < ¶Úªp > 20 B6 DA AA 70 01 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000170AADC6400, 16 bytes long.
Data: <øµÚªp > F8 B5 DA AA 70 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000170AADC06D0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{281} normal block at 0x00000170AADC6540, 16 bytes long.
Data: <еڪp > D0 B5 DA AA 70 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000170AADAB5D0, 320 bytes long.
Data: <@eܪp Рܪp > 40 65 DC AA 70 01 00 00 D0 06 DC AA 70 01 00 00
{279} normal block at 0x00000170AADC5960, 16 bytes long.
Data: <àVܪp > E0 56 DC AA 70 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000170AADC5F50, 16 bytes long.
Data: <¸Vܪp > B8 56 DC AA 70 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000170AADC0130, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{276} normal block at 0x00000170AADC5B90, 16 bytes long.
Data: < Vܪp > 90 56 DC AA 70 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000170AADC0490, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{274} normal block at 0x00000170AADC6360, 16 bytes long.
Data: <ØUܪp > D8 55 DC AA 70 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x00000170AADC6810, 16 bytes long.
Data: <°Uܪp > B0 55 DC AA 70 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000170AADC6590, 16 bytes long.
Data: < Uܪp > 88 55 DC AA 70 01 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000170AADC5C80, 16 bytes long.
Data: <`Uܪp > 60 55 DC AA 70 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x00000170AADC6270, 16 bytes long.
Data: <8Uܪp > 38 55 DC AA 70 01 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000170AADBEC20, 16 bytes long.
Data: < Uܪp > 10 55 DC AA 70 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x00000170AADBEAE0, 16 bytes long.
Data: <P>ܪp > 50 3E DC AA 70 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000170AADC3E50, 40 bytes long.
Data: <àêÛªp àžÞªp > E0 EA DB AA 70 01 00 00 E0 9E DE AA 70 01 00 00
{265} normal block at 0x00000170AADBEBD0, 16 bytes long.
Data: <ðTܪp > F0 54 DC AA 70 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x00000170AADBEA90, 16 bytes long.
Data: <ÈTܪp > C8 54 DC AA 70 01 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x00000170AADC0430, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{262} normal block at 0x00000170AADBEA40, 16 bytes long.
Data: < Tܪp > A0 54 DC AA 70 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x00000170AADC54A0, 992 bytes long.
Data: <@êÛªp 0 ܪp > 40 EA DB AA 70 01 00 00 30 04 DC AA 70 01 00 00
{97} normal block at 0x00000170AADBF9B0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{96} normal block at 0x00000170AADBF260, 16 bytes long.
Data: <°;ܪp > B0 3B DC AA 70 01 00 00 00 00 00 00 00 00 00 00
{95} normal block at 0x00000170AADC3BB0, 40 bytes long.
Data: <`òÛªp °ùÛªp > 60 F2 DB AA 70 01 00 00 B0 F9 DB AA 70 01 00 00
{74} normal block at 0x00000170AADBEF90, 16 bytes long.
Data: < ê ÷ > 80 EA 98 04 F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x00000170AADBECC0, 16 bytes long.
Data: <@é ÷ > 40 E9 98 04 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000170AADBF850, 16 bytes long.
Data: <øW• ÷ > F8 57 95 04 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000170AADBF800, 16 bytes long.
Data: <ØW• ÷ > D8 57 95 04 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000170AADBEEA0, 16 bytes long.
Data: <P • ÷ > 50 04 95 04 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x00000170AADBEF40, 16 bytes long.
Data: <0 • ÷ > 30 04 95 04 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x00000170AADBF300, 16 bytes long.
Data: <à • ÷ > E0 02 95 04 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x00000170AADBEB30, 16 bytes long.
Data: < • ÷ > 10 04 95 04 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x00000170AADBF710, 16 bytes long.
Data: <p • ÷ > 70 04 95 04 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x00000170AADBEE00, 16 bytes long.
Data: < À“ ÷ > 18 C0 93 04 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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