Task 38600304
| Name | PTP1B_A11_A19_r0_3-QUICO_ATM_GAFF2_NAGL_PTP1B-4-6-RND1637_1 |
| Workunit | 31555027 |
| Created | 9 Apr 2026, 2:07:09 UTC |
| Sent | 9 Apr 2026, 2:07:13 UTC |
| Report deadline | 14 Apr 2026, 2:07:13 UTC |
| Received | 9 Apr 2026, 7:23:53 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 634027 |
| Run time | 3 hours 57 min 48 sec |
| CPU time | 3 hours 57 min 48 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 7,885.55 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 572.79 MB |
| Peak swap size | 6.58 GB |
| Peak disk usage | 2.99 GB |
Stderr output
<core_client_version>8.0.2</core_client_version>
<![CDATA[
<stderr_txt>
05:24:42 (107192): wrapper (7.9.26016): starting
05:24:42 (107192): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A11_A19_0.pdb
QB_A11_A19_0.xml
QB_A11_A19.inpcrd
QB_A11_A19_input.yaml
QB_A11_A19.pdb
QB_A11_A19.prmtop
QB_A11_A19_sys.xml
run.bat
run.sh
05:24:44 (107192): Library/usr/bin/tar.exe exited; CPU time 0.015625
05:24:44 (107192): 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: Exiting with failure status due to previous errors
09:23:35 (107192): C:/Windows/system32/cmd.exe exited; CPU time 14268.093750
09:23:35 (107192): called boinc_finish(0)
0 bytes in 0 Free Blocks.
256 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: 433124713 bytes.
Dumping objects ->
{3835302} normal block at 0x00000203A4CAB0A0, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835291} normal block at 0x00000203A4CAB030, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835280} normal block at 0x00000203A4CAB500, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{3835269} normal block at 0x00000203A4CAACB0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{3835258} normal block at 0x00000203A4CAAEE0, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{3835227} normal block at 0x00000203A68A6510, 64 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
..\api\boinc_api.cpp(309) : {3835214} normal block at 0x00000203A4C7EE80, 8 bytes long.
Data: < Á¤ > 00 00 C1 A4 03 02 00 00
{3833977} normal block at 0x00000203A4C7EFC0, 8 bytes long.
Data: <0ç{¦ > 30 E7 7B A6 03 02 00 00
..\zip\boinc_zip.cpp(122) : {320} normal block at 0x00000203A4C71700, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{305} normal block at 0x00000203A4C72F40, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{304} normal block at 0x00000203A4C873F0, 16 bytes long.
Data: < †È¤ > 88 86 C8 A4 03 02 00 00 00 00 00 00 00 00 00 00
{303} normal block at 0x00000203A4C87F30, 16 bytes long.
Data: <`†È¤ > 60 86 C8 A4 03 02 00 00 00 00 00 00 00 00 00 00
{302} normal block at 0x00000203A4C80E30, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{301} normal block at 0x00000203A4C874E0, 16 bytes long.
Data: <8†È¤ > 38 86 C8 A4 03 02 00 00 00 00 00 00 00 00 00 00
{300} normal block at 0x00000203A4C873A0, 16 bytes long.
Data: < †È¤ > 10 86 C8 A4 03 02 00 00 00 00 00 00 00 00 00 00
{299} normal block at 0x00000203A4C87530, 16 bytes long.
Data: <è…Ȥ > E8 85 C8 A4 03 02 00 00 00 00 00 00 00 00 00 00
{298} normal block at 0x00000203A4C882A0, 16 bytes long.
Data: <À…Ȥ > C0 85 C8 A4 03 02 00 00 00 00 00 00 00 00 00 00
{297} normal block at 0x00000203A4C859F0, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{296} normal block at 0x00000203A4C876C0, 16 bytes long.
Data: <è Ǥ > E8 08 C7 A4 03 02 00 00 00 00 00 00 00 00 00 00
{295} normal block at 0x00000203A4C81070, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{294} normal block at 0x00000203A4C87E40, 16 bytes long.
Data: <À Ǥ > C0 08 C7 A4 03 02 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x00000203A4C88200, 16 bytes long.
Data: < Ǥ > 98 08 C7 A4 03 02 00 00 00 00 00 00 00 00 00 00
{291} normal block at 0x00000203A4C881B0, 16 bytes long.
Data: <p Ǥ > 70 08 C7 A4 03 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x00000203A4C87490, 16 bytes long.
Data: <H Ǥ > 48 08 C7 A4 03 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x00000203A4C87C10, 16 bytes long.
Data: < Ǥ > 20 08 C7 A4 03 02 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x00000203A4C87CB0, 16 bytes long.
Data: <ø Ǥ > F8 07 C7 A4 03 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x00000203A4C814F0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{286} normal block at 0x00000203A4C87DF0, 16 bytes long.
Data: <РǤ > D0 07 C7 A4 03 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x00000203A4C707D0, 320 bytes long.
Data: <ð}Ȥ ð Ȥ > F0 7D C8 A4 03 02 00 00 F0 14 C8 A4 03 02 00 00
{284} normal block at 0x00000203A4C87AD0, 16 bytes long.
Data: < …Ȥ > A0 85 C8 A4 03 02 00 00 00 00 00 00 00 00 00 00
{283} normal block at 0x00000203A4C87A80, 16 bytes long.
Data: <x…Ȥ > 78 85 C8 A4 03 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x00000203A4C80EF0, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{281} normal block at 0x00000203A4C87F80, 16 bytes long.
Data: <P…Ȥ > 50 85 C8 A4 03 02 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x00000203A4C81970, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{279} normal block at 0x00000203A4C87670, 16 bytes long.
Data: < „Ȥ > 98 84 C8 A4 03 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x00000203A4C87620, 16 bytes long.
Data: <p„Ȥ > 70 84 C8 A4 03 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x00000203A4C87B70, 16 bytes long.
Data: <H„Ȥ > 48 84 C8 A4 03 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x00000203A4C87DA0, 16 bytes long.
Data: < „Ȥ > 20 84 C8 A4 03 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x00000203A4C880C0, 16 bytes long.
Data: <øƒÈ¤ > F8 83 C8 A4 03 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x00000203A4C87440, 16 bytes long.
Data: <ЃȤ > D0 83 C8 A4 03 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x00000203A4C87A30, 16 bytes long.
Data: <à]Ȥ > E0 5D C8 A4 03 02 00 00 00 00 00 00 00 00 00 00
{271} normal block at 0x00000203A4C85DE0, 40 bytes long.
Data: <0zȤ eŠ¦ > 30 7A C8 A4 03 02 00 00 10 65 8A A6 03 02 00 00
{270} normal block at 0x00000203A4C87D50, 16 bytes long.
Data: <°ƒÈ¤ > B0 83 C8 A4 03 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x00000203A4C88160, 16 bytes long.
Data: < ƒÈ¤ > 88 83 C8 A4 03 02 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x00000203A4C81370, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{267} normal block at 0x00000203A4C877B0, 16 bytes long.
Data: <`ƒÈ¤ > 60 83 C8 A4 03 02 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x00000203A4C88360, 992 bytes long.
Data: <°wȤ p Ȥ > B0 77 C8 A4 03 02 00 00 70 13 C8 A4 03 02 00 00
{102} normal block at 0x00000203A4C818B0, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{101} normal block at 0x00000203A4C7ED90, 16 bytes long.
Data: <P^Ȥ > 50 5E C8 A4 03 02 00 00 00 00 00 00 00 00 00 00
{100} normal block at 0x00000203A4C85E50, 40 bytes long.
Data: < íǤ ° Ȥ > 90 ED C7 A4 03 02 00 00 B0 18 C8 A4 03 02 00 00
{79} normal block at 0x00000203A4C7EB10, 16 bytes long.
Data: < êá*÷ > 80 EA E1 2A F7 7F 00 00 00 00 00 00 00 00 00 00
{78} normal block at 0x00000203A4C7ECA0, 16 bytes long.
Data: <@éá*÷ > 40 E9 E1 2A F7 7F 00 00 00 00 00 00 00 00 00 00
{77} normal block at 0x00000203A4C7F330, 16 bytes long.
Data: <øWÞ*÷ > F8 57 DE 2A F7 7F 00 00 00 00 00 00 00 00 00 00
{76} normal block at 0x00000203A4C7F2E0, 16 bytes long.
Data: <ØWÞ*÷ > D8 57 DE 2A F7 7F 00 00 00 00 00 00 00 00 00 00
{75} normal block at 0x00000203A4C7F650, 16 bytes long.
Data: <P Þ*÷ > 50 04 DE 2A F7 7F 00 00 00 00 00 00 00 00 00 00
{74} normal block at 0x00000203A4C7F510, 16 bytes long.
Data: <0 Þ*÷ > 30 04 DE 2A F7 7F 00 00 00 00 00 00 00 00 00 00
{73} normal block at 0x00000203A4C7E8E0, 16 bytes long.
Data: <à Þ*÷ > E0 02 DE 2A F7 7F 00 00 00 00 00 00 00 00 00 00
{72} normal block at 0x00000203A4C7F0B0, 16 bytes long.
Data: < Þ*÷ > 10 04 DE 2A F7 7F 00 00 00 00 00 00 00 00 00 00
{71} normal block at 0x00000203A4C7F150, 16 bytes long.
Data: <p Þ*÷ > 70 04 DE 2A F7 7F 00 00 00 00 00 00 00 00 00 00
{70} normal block at 0x00000203A4C7EF20, 16 bytes long.
Data: < ÀÜ*÷ > 18 C0 DC 2A F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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