Task 38680788
| Name | test_648-GPUGRID_TEST_ATM_40STEP_20261023-36-40-RND2779_0 |
| Workunit | 31622488 |
| Created | 27 Oct 2026, 1:29:02 UTC |
| Sent | 27 Oct 2026, 1:29:20 UTC |
| Report deadline | 1 Nov 2026, 1:29:20 UTC |
| Received | 27 Oct 2026, 5:52:40 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 630191 |
| Run time | 36 min 8 sec |
| CPU time | 33 min 39 sec |
| Validate state | Valid |
| Credit | 60,000.00 |
| Device peak FLOPS | 15,394.34 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 762.30 MB |
| Peak swap size | 12.92 GB |
| Peak disk usage | 3.03 GB |
Stderr output
<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
01:16:09 (30300): wrapper (7.9.26016): starting
01:16:09 (30300): 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
01:16:10 (30300): Library/usr/bin/tar.exe exited; CPU time 0.000000
01:16:10 (30300): 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\11\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\11\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
01:50:57 (30300): C:/Windows/system32/cmd.exe exited; CPU time 2019.203125
01:50:57 (30300): called boinc_finish(0)
0 bytes in 0 Free Blocks.
536 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: 41666575 bytes.
Dumping objects ->
{3835559} normal block at 0x000002533CD805E0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835548} normal block at 0x000002533AF47700, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835537} normal block at 0x000002533AF47690, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835526} normal block at 0x000002533AF47620, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835515} normal block at 0x000002533AF475B0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835484} normal block at 0x000002533CDCCC50, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835473} normal block at 0x000002533AFA08E0, 140 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) : {3835470} normal block at 0x000002533AF3DAE0, 8 bytes long.
Data: < I;S > 00 00 49 3B 53 02 00 00
{3834709} normal block at 0x000002533AFA0B50, 140 bytes long.
Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65
{3833965} normal block at 0x000002533AF3E800, 8 bytes long.
Data: < hâ<S > A0 68 E2 3C 53 02 00 00
..\zip\boinc_zip.cpp(122) : {314} normal block at 0x000002533AF42640, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x000002533AF36890, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{298} normal block at 0x000002533AF48EB0, 16 bytes long.
Data: < “ô:S > 88 93 F4 3A 53 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x000002533AF48230, 16 bytes long.
Data: <`“ô:S > 60 93 F4 3A 53 02 00 00 00 00 00 00 00 00 00 00
{296} normal block at 0x000002533AF3FCF0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{295} normal block at 0x000002533AF48910, 16 bytes long.
Data: <8“ô:S > 38 93 F4 3A 53 02 00 00 00 00 00 00 00 00 00 00
{294} normal block at 0x000002533AF48AF0, 16 bytes long.
Data: < “ô:S > 10 93 F4 3A 53 02 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x000002533AF481E0, 16 bytes long.
Data: <è’ô:S > E8 92 F4 3A 53 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002533AF485F0, 16 bytes long.
Data: <À’ô:S > C0 92 F4 3A 53 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x000002533AF47AF0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{290} normal block at 0x000002533AF48A50, 16 bytes long.
Data: <¸øó:S > B8 F8 F3 3A 53 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002533AF403B0, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{288} normal block at 0x000002533AF48E60, 16 bytes long.
Data: < øó:S > 90 F8 F3 3A 53 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002533AF488C0, 16 bytes long.
Data: <høó:S > 68 F8 F3 3A 53 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002533AF48140, 16 bytes long.
Data: <@øó:S > 40 F8 F3 3A 53 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002533AF48E10, 16 bytes long.
Data: < øó:S > 18 F8 F3 3A 53 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x000002533AF48CD0, 16 bytes long.
Data: <ð÷ó:S > F0 F7 F3 3A 53 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002533AF48AA0, 16 bytes long.
Data: <È÷ó:S > C8 F7 F3 3A 53 02 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x000002533AF3FB70, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{280} normal block at 0x000002533AF48690, 16 bytes long.
Data: < ÷ó:S > A0 F7 F3 3A 53 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002533AF3F7A0, 320 bytes long.
Data: < †ô:S pûó:S > 90 86 F4 3A 53 02 00 00 70 FB F3 3A 53 02 00 00
{278} normal block at 0x000002533AF48870, 16 bytes long.
Data: < ’ô:S > A0 92 F4 3A 53 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002533AF480F0, 16 bytes long.
Data: <x’ô:S > 78 92 F4 3A 53 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002533AF40350, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{275} normal block at 0x000002533AF48C30, 16 bytes long.
Data: <P’ô:S > 50 92 F4 3A 53 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002533AF3FF90, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{273} normal block at 0x000002533AF483C0, 16 bytes long.
Data: < ‘ô:S > 98 91 F4 3A 53 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002533AF489B0, 16 bytes long.
Data: <p‘ô:S > 70 91 F4 3A 53 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x000002533AF48DC0, 16 bytes long.
Data: <H‘ô:S > 48 91 F4 3A 53 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002533AF482D0, 16 bytes long.
Data: < ‘ô:S > 20 91 F4 3A 53 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002533AF480A0, 16 bytes long.
Data: <ø ô:S > F8 90 F4 3A 53 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x000002533AF48190, 16 bytes long.
Data: <Ð ô:S > D0 90 F4 3A 53 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x000002533AF48820, 16 bytes long.
Data: <`{ô:S > 60 7B F4 3A 53 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002533AF47B60, 40 bytes long.
Data: < ô:S PÌÜ<S > 20 88 F4 3A 53 02 00 00 50 CC DC 3C 53 02 00 00
{264} normal block at 0x000002533AF48D20, 16 bytes long.
Data: <° ô:S > B0 90 F4 3A 53 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002533AF487D0, 16 bytes long.
Data: < ô:S > 88 90 F4 3A 53 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002533AF40290, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{261} normal block at 0x000002533AF48D70, 16 bytes long.
Data: <` ô:S > 60 90 F4 3A 53 02 00 00 00 00 00 00 00 00 00 00
{260} normal block at 0x000002533AF49060, 992 bytes long.
Data: <p ô:S ô:S > 70 8D F4 3A 53 02 00 00 90 02 F4 3A 53 02 00 00
{96} normal block at 0x000002533AF404D0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{95} normal block at 0x000002533AF3E260, 16 bytes long.
Data: < ëò:S > 10 EB F2 3A 53 02 00 00 00 00 00 00 00 00 00 00
{94} normal block at 0x000002533AF2EB10, 40 bytes long.
Data: <`âó:S Ð ô:S > 60 E2 F3 3A 53 02 00 00 D0 04 F4 3A 53 02 00 00
{73} normal block at 0x000002533AF3DD60, 16 bytes long.
Data: < ê1P÷ > 80 EA 31 50 F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x000002533AF3E580, 16 bytes long.
Data: <@é1P÷ > 40 E9 31 50 F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x000002533AF3E0D0, 16 bytes long.
Data: <øW.P÷ > F8 57 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x000002533AF3E7B0, 16 bytes long.
Data: <ØW.P÷ > D8 57 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00
{69} normal block at 0x000002533AF3DF90, 16 bytes long.
Data: <P .P÷ > 50 04 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x000002533AF3E1C0, 16 bytes long.
Data: <0 .P÷ > 30 04 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x000002533AF3D9F0, 16 bytes long.
Data: <à .P÷ > E0 02 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x000002533AF3E940, 16 bytes long.
Data: < .P÷ > 10 04 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x000002533AF3E6C0, 16 bytes long.
Data: <p .P÷ > 70 04 2E 50 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x000002533AF3E3A0, 16 bytes long.
Data: < À,P÷ > 18 C0 2C 50 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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