Task 38583664
| Name | PFKFB3_A15_A03_r0_1-QUICO_ATM_GAFF2_LOMAP_PFKFB3-2-5-RND5982_0 |
| Workunit | 31547742 |
| Created | 14 Dec 2025, 12:34:36 UTC |
| Sent | 14 Dec 2025, 12:34:40 UTC |
| Report deadline | 19 Dec 2025, 12:34:40 UTC |
| Received | 17 Dec 2025, 17:25:15 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 517019 |
| Run time | 9 hours 45 min 37 sec |
| CPU time | 9 hours 28 min 16 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 5,580.31 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 749.12 MB |
| Peak swap size | 3.82 GB |
| Peak disk usage | 4.92 GB |
Stderr output
<core_client_version>7.16.20</core_client_version>
<![CDATA[
<stderr_txt>
22:41:15 (22336): wrapper (7.9.26016): starting
22:41:16 (22336): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A15_A03_0.pdb
QB_A15_A03_0.xml
QB_A15_A03_equil.pdb
QB_A15_A03.inpcrd
QB_A15_A03_input.yaml
QB_A15_A03_mdlambda.pdb
QB_A15_A03_min.pdb
QB_A15_A03_npt.pdb
QB_A15_A03.pdb
QB_A15_A03.prmtop
QB_A15_A03_sys.xml
QB_A15_A03_therm.pdb
run.bat
run.sh
22:41:22 (22336): Library/usr/bin/tar.exe exited; CPU time 0.015625
22:41:22 (22336): 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\5\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\5\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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835294} normal block at 0x0000026B47A175B0, 8 bytes long.
Data: < Gk > 00 00 9F 47 6B 02 00 00
..\lib\diagnostics_win.cpp(417) : {3834036} normal block at 0x0000026B47A4A350, 1080 bytes long.
Data: < L X > 94 4C 00 00 CD CD CD CD 58 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000026B47A21F00, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
03:52:13 (18100): wrapper (7.9.26016): starting
03:52:13 (18100): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ƒTƒuƒfƒBƒŒƒNƒgƒŠ‚Ü‚½‚̓tƒ@ƒCƒ‹ E:\boinc\slots\5\tmp ‚ÍŠù‚É‘¶Ý‚µ‚Ü‚·B
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849977} normal block at 0x0000026220DF66F0, 8 bytes long.
Data: < b > 00 00 DD 20 62 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848719} normal block at 0x0000026222C1E450, 1080 bytes long.
Data: < P > E8 50 00 00 CD CD CD CD 84 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000026220E03DC0, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
06:55:45 (11708): wrapper (7.9.26016): starting
06:55:45 (11708): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ƒTƒuƒfƒBƒŒƒNƒgƒŠ‚Ü‚½‚̓tƒ@ƒCƒ‹ E:\boinc\slots\5\tmp ‚ÍŠù‚É‘¶Ý‚µ‚Ü‚·B
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3849977} normal block at 0x0000021FE1176660, 8 bytes long.
Data: < > 00 00 13 E1 1F 02 00 00
..\lib\diagnostics_win.cpp(417) : {3848719} normal block at 0x0000021FE2F12640, 1080 bytes long.
Data: <4V > 34 56 00 00 CD CD CD CD 8C 01 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x0000021FE1181220, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
20:04:42 (2160): wrapper (7.9.26016): starting
20:04:42 (2160): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
ƒTƒuƒfƒBƒŒƒNƒgƒŠ‚Ü‚½‚̓tƒ@ƒCƒ‹ E:\boinc\slots\5\tmp ‚ÍŠù‚É‘¶Ý‚µ‚Ü‚·B
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
23:22:01 (2160): C:/Windows/system32/cmd.exe exited; CPU time 11472.531250
23:22:01 (2160): 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: 199759974 bytes.
Dumping objects ->
{3850065} normal block at 0x000002AFA76E5F50, 48 bytes long.
Data: <PATH=E:\boinc\sl> 50 41 54 48 3D 45 3A 5C 62 6F 69 6E 63 5C 73 6C
{3850054} normal block at 0x000002AFA96227D0, 32 bytes long.
Data: <HOME=E:\boinc\sl> 48 4F 4D 45 3D 45 3A 5C 62 6F 69 6E 63 5C 73 6C
{3850043} normal block at 0x000002AFA9622DD0, 32 bytes long.
Data: <TMP=E:\boinc\slo> 54 4D 50 3D 45 3A 5C 62 6F 69 6E 63 5C 73 6C 6F
{3850032} normal block at 0x000002AFA96234F0, 32 bytes long.
Data: <TEMP=E:\boinc\sl> 54 45 4D 50 3D 45 3A 5C 62 6F 69 6E 63 5C 73 6C
{3850021} normal block at 0x000002AFA9621ED0, 32 bytes long.
Data: <TMPDIR=E:\boinc\> 54 4D 50 44 49 52 3D 45 3A 5C 62 6F 69 6E 63 5C
{3849990} normal block at 0x000002AFA76E5D20, 48 bytes long.
Data: <PATH=E:\boinc\sl> 50 41 54 48 3D 45 3A 5C 62 6F 69 6E 63 5C 73 6C
..\api\boinc_api.cpp(309) : {3849977} normal block at 0x000002AFA76B5E90, 8 bytes long.
Data: < h§¯ > 00 00 68 A7 AF 02 00 00
{3848720} normal block at 0x000002AFA76B59E0, 8 bytes long.
Data: <@&Q©¯ > 40 26 51 A9 AF 02 00 00
..\zip\boinc_zip.cpp(122) : {307} normal block at 0x000002AFA76C1220, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x000002AFA76A5F00, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{291} normal block at 0x000002AFA76C2A30, 16 bytes long.
Data: <È4l§¯ > C8 34 6C A7 AF 02 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x000002AFA76C2710, 16 bytes long.
Data: < 4l§¯ > A0 34 6C A7 AF 02 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x000002AFA76BC0F0, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{288} normal block at 0x000002AFA76C2F80, 16 bytes long.
Data: <x4l§¯ > 78 34 6C A7 AF 02 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x000002AFA76C2030, 16 bytes long.
Data: <P4l§¯ > 50 34 6C A7 AF 02 00 00 00 00 00 00 00 00 00 00
{286} normal block at 0x000002AFA76C2EE0, 16 bytes long.
Data: <(4l§¯ > 28 34 6C A7 AF 02 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x000002AFA76C2F30, 16 bytes long.
Data: < 4l§¯ > 00 34 6C A7 AF 02 00 00 00 00 00 00 00 00 00 00
{284} normal block at 0x000002AFA76BAB60, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{283} normal block at 0x000002AFA76C2170, 16 bytes long.
Data: < ^j§¯ > 98 5E 6A A7 AF 02 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x000002AFA76BC990, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{281} normal block at 0x000002AFA76C2E90, 16 bytes long.
Data: <p^j§¯ > 70 5E 6A A7 AF 02 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x000002AFA76C2B20, 16 bytes long.
Data: <H^j§¯ > 48 5E 6A A7 AF 02 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x000002AFA76C27B0, 16 bytes long.
Data: < ^j§¯ > 20 5E 6A A7 AF 02 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x000002AFA76C21C0, 16 bytes long.
Data: < ]j§¯ > F8 5D 6A A7 AF 02 00 00 00 00 00 00 00 00 00 00
{276} normal block at 0x000002AFA76C2E40, 16 bytes long.
Data: <Ð]j§¯ > D0 5D 6A A7 AF 02 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x000002AFA76C26C0, 16 bytes long.
Data: <¨]j§¯ > A8 5D 6A A7 AF 02 00 00 00 00 00 00 00 00 00 00
{274} normal block at 0x000002AFA76BCBD0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{273} normal block at 0x000002AFA76C2080, 16 bytes long.
Data: < ]j§¯ > 80 5D 6A A7 AF 02 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x000002AFA76A5D80, 320 bytes long.
Data: < l§¯ ÐËk§¯ > 80 20 6C A7 AF 02 00 00 D0 CB 6B A7 AF 02 00 00
{271} normal block at 0x000002AFA76C2DA0, 16 bytes long.
Data: < 3l§¯ > E0 33 6C A7 AF 02 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x000002AFA76C2120, 16 bytes long.
Data: <¸3l§¯ > B8 33 6C A7 AF 02 00 00 00 00 00 00 00 00 00 00
{269} normal block at 0x000002AFA76BCB70, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{268} normal block at 0x000002AFA76C22B0, 16 bytes long.
Data: < 3l§¯ > 90 33 6C A7 AF 02 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x000002AFA76BBF10, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{266} normal block at 0x000002AFA76C28A0, 16 bytes long.
Data: <Ø2l§¯ > D8 32 6C A7 AF 02 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x000002AFA76C2670, 16 bytes long.
Data: <°2l§¯ > B0 32 6C A7 AF 02 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x000002AFA76C2620, 16 bytes long.
Data: < 2l§¯ > 88 32 6C A7 AF 02 00 00 00 00 00 00 00 00 00 00
{263} normal block at 0x000002AFA76C2850, 16 bytes long.
Data: <`2l§¯ > 60 32 6C A7 AF 02 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x000002AFA76C2D50, 16 bytes long.
Data: <82l§¯ > 38 32 6C A7 AF 02 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x000002AFA76C2D00, 16 bytes long.
Data: < 2l§¯ > 10 32 6C A7 AF 02 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x000002AFA76C2CB0, 16 bytes long.
Data: < ®k§¯ > 00 AE 6B A7 AF 02 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x000002AFA76BAE00, 40 bytes long.
Data: <°,l§¯ ]n§¯ > B0 2C 6C A7 AF 02 00 00 20 5D 6E A7 AF 02 00 00
{257} normal block at 0x000002AFA76C2C60, 16 bytes long.
Data: < 1l§¯ > F0 31 6C A7 AF 02 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x000002AFA76C2B70, 16 bytes long.
Data: <È1l§¯ > C8 31 6C A7 AF 02 00 00 00 00 00 00 00 00 00 00
{255} normal block at 0x000002AFA76BBE50, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{254} normal block at 0x000002AFA76C23A0, 16 bytes long.
Data: < 1l§¯ > A0 31 6C A7 AF 02 00 00 00 00 00 00 00 00 00 00
{253} normal block at 0x000002AFA76C31A0, 992 bytes long.
Data: < #l§¯ P¾k§¯ > A0 23 6C A7 AF 02 00 00 50 BE 6B A7 AF 02 00 00
{89} normal block at 0x000002AFA76BC030, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{88} normal block at 0x000002AFA76B6700, 16 bytes long.
Data: < ªk§¯ > 80 AA 6B A7 AF 02 00 00 00 00 00 00 00 00 00 00
{87} normal block at 0x000002AFA76BAA80, 40 bytes long.
Data: < gk§¯ 0Àk§¯ > 00 67 6B A7 AF 02 00 00 30 C0 6B A7 AF 02 00 00
{64} normal block at 0x000002AFA76B6390, 16 bytes long.
Data: < ¨ > 80 EA 0E A8 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x000002AFA76B6070, 16 bytes long.
Data: <@ ¨ > 40 E9 0E A8 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x000002AFA76B5FD0, 16 bytes long.
Data: < W ¨ > F8 57 0B A8 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x000002AFA76B66B0, 16 bytes long.
Data: <ØW ¨ > D8 57 0B A8 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x000002AFA76B6430, 16 bytes long.
Data: <P ¨ > 50 04 0B A8 F7 7F 00 00 00 00 00 00 00 00 00 00
{59} normal block at 0x000002AFA76B6570, 16 bytes long.
Data: <0 ¨ > 30 04 0B A8 F7 7F 00 00 00 00 00 00 00 00 00 00
{58} normal block at 0x000002AFA76B58A0, 16 bytes long.
Data: < ¨ > E0 02 0B A8 F7 7F 00 00 00 00 00 00 00 00 00 00
{57} normal block at 0x000002AFA76B58F0, 16 bytes long.
Data: < ¨ > 10 04 0B A8 F7 7F 00 00 00 00 00 00 00 00 00 00
{56} normal block at 0x000002AFA76B6340, 16 bytes long.
Data: <p ¨ > 70 04 0B A8 F7 7F 00 00 00 00 00 00 00 00 00 00
{55} normal block at 0x000002AFA76B6020, 16 bytes long.
Data: < À ¨ > 18 C0 09 A8 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
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