| Name | PFKFB3_A14_A08_r0_4-QUICO_ATM_GAFF2_LOMAP_PFKFB3-1-5-RND9736_0 |
| Workunit | 31546513 |
| Created | 12 Dec 2025, 22:18:12 UTC |
| Sent | 12 Dec 2025, 22:18:17 UTC |
| Report deadline | 17 Dec 2025, 22:18:17 UTC |
| Received | 13 Dec 2025, 19:51:48 UTC |
| Server state | Over |
| Outcome | Success |
| Client state | Done |
| Exit status | 0 (0x00000000) |
| Computer ID | 627736 |
| Run time | 18 hours 40 min 35 sec |
| CPU time | 18 hours 40 min 35 sec |
| Validate state | Valid |
| Credit | 750,000.00 |
| Device peak FLOPS | 2,261.56 GFLOPS |
| Application version | ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121) windows_x86_64 |
| Peak working set size | 733.70 MB |
| Peak swap size | 9.79 GB |
| Peak disk usage | 3.67 GB |
<core_client_version>8.2.4</core_client_version>
<![CDATA[
<stderr_txt>
16:45:06 (24496): wrapper (7.9.26016): starting
16:45:06 (24496): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A14_A08_0.pdb
QB_A14_A08_0.xml
QB_A14_A08_equil.pdb
QB_A14_A08.inpcrd
QB_A14_A08_input.yaml
QB_A14_A08_mdlambda.pdb
QB_A14_A08_min.pdb
QB_A14_A08_npt.pdb
QB_A14_A08.pdb
QB_A14_A08.prmtop
QB_A14_A08_sys.xml
QB_A14_A08_therm.pdb
run.bat
run.sh
16:45:15 (24496): Library/usr/bin/tar.exe exited; CPU time 0.031250
16:45:15 (24496): 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\26\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.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {3835096} normal block at 0x00000273B3B1D720, 8 bytes long.
Data: < s > 00 00 AB B3 73 02 00 00
..\lib\diagnostics_win.cpp(417) : {3833956} normal block at 0x00000273B3B0D4D0, 1080 bytes long.
Data: < { 0 > 9C 7B 00 00 CD CD CD CD 30 02 00 00 00 00 00 00
..\zip\boinc_zip.cpp(122) : {310} normal block at 0x00000273B3B11160, 260 bytes long.
Data: < > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00
Object dump complete.
16:48:41 (29132): wrapper (7.9.26016): starting
16:48:41 (29132): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\26\tmp already exists.
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\26\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) : {1443} normal block at 0x00000159614A5F10, 8 bytes long.
Data: < EaY > 00 00 45 61 59 01 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x00000159614A6530, 1080 bytes long.
Data: <\u > 5C 75 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
17:11:18 (34408): wrapper (7.9.26016): starting
17:11:18 (34408): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\26\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1443} normal block at 0x000001ABC5F35DF0, 8 bytes long.
Data: < A > 00 00 41 C6 AB 01 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x000001ABC5F36500, 1080 bytes long.
Data: <( > 28 0C 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
17:16:21 (29988): wrapper (7.9.26016): starting
17:16:21 (29988): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\26\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1443} normal block at 0x00000247F2185A00, 8 bytes long.
Data: < G > 00 00 10 F2 47 02 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x00000247F2186020, 1080 bytes long.
Data: <H7 > 48 37 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
09:35:02 (21688): wrapper (7.9.26016): starting
09:35:02 (21688): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\26\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1443} normal block at 0x0000015647444F60, 8 bytes long.
Data: < :GV > 00 00 3A 47 56 01 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x00000156474462C0, 1080 bytes long.
Data: <8E > 38 45 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
09:40:04 (28544): wrapper (7.9.26016): starting
09:40:04 (28544): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\26\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1443} normal block at 0x00000226E34E5330, 8 bytes long.
Data: < & > 00 00 98 E3 26 02 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x00000226E34E6530, 1080 bytes long.
Data: < < > C8 3C 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
09:49:35 (27436): wrapper (7.9.26016): starting
09:49:35 (27436): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\26\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1443} normal block at 0x0000020763505750, 8 bytes long.
Data: < Mc > 00 00 4D 63 07 02 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x0000020763506560, 1080 bytes long.
Data: < _ > B4 5F 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
09:57:52 (33536): wrapper (7.9.26016): starting
09:57:52 (33536): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\26\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1443} normal block at 0x000002178C6B67A0, 8 bytes long.
Data: < e > 00 00 65 8C 17 02 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x000002178C6B7290, 1080 bytes long.
Data: < s > A0 73 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
10:02:53 (26644): wrapper (7.9.26016): starting
10:02:53 (26644): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\26\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1443} normal block at 0x00000288B8D87650, 8 bytes long.
Data: < > 00 00 14 B9 88 02 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x00000288B8D87FE0, 1080 bytes long.
Data: < V > 20 56 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
10:21:29 (22148): wrapper (7.9.26016): starting
10:21:29 (22148): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\26\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1443} normal block at 0x000001E5F9F45700, 8 bytes long.
Data: < > 00 00 F0 F9 E5 01 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x000001E5F9F46360, 1080 bytes long.
Data: < F > F4 46 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
10:26:31 (27868): wrapper (7.9.26016): starting
10:26:31 (27868): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\26\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1443} normal block at 0x0000018BA5715930, 8 bytes long.
Data: < $ > 00 00 24 A7 8B 01 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x0000018BA57163B0, 1080 bytes long.
Data: < o > D0 6F 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
10:49:19 (8168): wrapper (7.9.26016): starting
10:49:19 (8168): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\26\tmp already exists.
Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead.
Detected memory leaks!
Dumping objects ->
..\api\boinc_api.cpp(309) : {1443} normal block at 0x000001763DE65970, 8 bytes long.
Data: < 6>v > 00 00 36 3E 76 01 00 00
..\lib\diagnostics_win.cpp(417) : {303} normal block at 0x000001763DE66530, 1080 bytes long.
Data: <|a > 7C 61 00 00 CD CD CD CD A8 01 00 00 00 00 00 00
Object dump complete.
10:54:21 (26348): wrapper (7.9.26016): starting
10:54:21 (26348): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
A subdirectory or file C:\ProgramData\BOINC\slots\26\tmp already exists.
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
13:44:42 (26348): C:/Windows/system32/cmd.exe exited; CPU time 10246.703125
13:44:42 (26348): 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: 223653499 bytes.
Dumping objects ->
{1531} normal block at 0x0000019B92664A10, 48 bytes long.
Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1520} normal block at 0x0000019B92664AF0, 48 bytes long.
Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1509} normal block at 0x0000019B926647E0, 48 bytes long.
Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61
{1498} normal block at 0x0000019B926649A0, 48 bytes long.
Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44
{1487} normal block at 0x0000019B92664850, 48 bytes long.
Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61
{1456} normal block at 0x0000019B92650550, 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) : {1443} normal block at 0x0000019B92665BF0, 8 bytes long.
Data: < _ > 00 00 5F 92 9B 01 00 00
{304} normal block at 0x0000019B92665150, 8 bytes long.
Data: <0ef > 30 65 66 92 9B 01 00 00
{295} normal block at 0x0000019B92651890, 80 bytes long.
Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C
{294} normal block at 0x0000019B92665380, 16 bytes long.
Data: <8df > 38 64 66 92 9B 01 00 00 00 00 00 00 00 00 00 00
{293} normal block at 0x0000019B92665330, 16 bytes long.
Data: < df > 10 64 66 92 9B 01 00 00 00 00 00 00 00 00 00 00
{292} normal block at 0x0000019B92660960, 32 bytes long.
Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D
{291} normal block at 0x0000019B92665290, 16 bytes long.
Data: < cf > E8 63 66 92 9B 01 00 00 00 00 00 00 00 00 00 00
{290} normal block at 0x0000019B92666050, 16 bytes long.
Data: < cf > C0 63 66 92 9B 01 00 00 00 00 00 00 00 00 00 00
{289} normal block at 0x0000019B92666000, 16 bytes long.
Data: < cf > 98 63 66 92 9B 01 00 00 00 00 00 00 00 00 00 00
{288} normal block at 0x0000019B926651F0, 16 bytes long.
Data: <pcf > 70 63 66 92 9B 01 00 00 00 00 00 00 00 00 00 00
{287} normal block at 0x0000019B92664C40, 48 bytes long.
Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F
{286} normal block at 0x0000019B92665FB0, 16 bytes long.
Data: < d > 88 B2 64 92 9B 01 00 00 00 00 00 00 00 00 00 00
{285} normal block at 0x0000019B92660D20, 32 bytes long.
Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69
{284} normal block at 0x0000019B92665F10, 16 bytes long.
Data: <` d > 60 B2 64 92 9B 01 00 00 00 00 00 00 00 00 00 00
{282} normal block at 0x0000019B92665EC0, 16 bytes long.
Data: <8 d > 38 B2 64 92 9B 01 00 00 00 00 00 00 00 00 00 00
{281} normal block at 0x0000019B92665DD0, 16 bytes long.
Data: < d > 10 B2 64 92 9B 01 00 00 00 00 00 00 00 00 00 00
{280} normal block at 0x0000019B92665D30, 16 bytes long.
Data: < d > E8 B1 64 92 9B 01 00 00 00 00 00 00 00 00 00 00
{279} normal block at 0x0000019B92665F60, 16 bytes long.
Data: < d > C0 B1 64 92 9B 01 00 00 00 00 00 00 00 00 00 00
{278} normal block at 0x0000019B92665880, 16 bytes long.
Data: < d > 98 B1 64 92 9B 01 00 00 00 00 00 00 00 00 00 00
{277} normal block at 0x0000019B92660EA0, 32 bytes long.
Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55
{276} normal block at 0x0000019B926651A0, 16 bytes long.
Data: <p d > 70 B1 64 92 9B 01 00 00 00 00 00 00 00 00 00 00
{275} normal block at 0x0000019B9264B170, 320 bytes long.
Data: < Qf f > A0 51 66 92 9B 01 00 00 A0 0E 66 92 9B 01 00 00
{274} normal block at 0x0000019B92665740, 16 bytes long.
Data: <Pcf > 50 63 66 92 9B 01 00 00 00 00 00 00 00 00 00 00
{273} normal block at 0x0000019B92665E20, 16 bytes long.
Data: <(cf > 28 63 66 92 9B 01 00 00 00 00 00 00 00 00 00 00
{272} normal block at 0x0000019B92661080, 32 bytes long.
Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65
{271} normal block at 0x0000019B92665560, 16 bytes long.
Data: < cf > 00 63 66 92 9B 01 00 00 00 00 00 00 00 00 00 00
{270} normal block at 0x0000019B92660A20, 32 bytes long.
Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62
{269} normal block at 0x0000019B92665CE0, 16 bytes long.
Data: <Hbf > 48 62 66 92 9B 01 00 00 00 00 00 00 00 00 00 00
{268} normal block at 0x0000019B926652E0, 16 bytes long.
Data: < bf > 20 62 66 92 9B 01 00 00 00 00 00 00 00 00 00 00
{267} normal block at 0x0000019B92665C90, 16 bytes long.
Data: < af > F8 61 66 92 9B 01 00 00 00 00 00 00 00 00 00 00
{266} normal block at 0x0000019B926655B0, 16 bytes long.
Data: < af > D0 61 66 92 9B 01 00 00 00 00 00 00 00 00 00 00
{265} normal block at 0x0000019B92665240, 16 bytes long.
Data: < af > A8 61 66 92 9B 01 00 00 00 00 00 00 00 00 00 00
{264} normal block at 0x0000019B926660A0, 16 bytes long.
Data: < af > 80 61 66 92 9B 01 00 00 00 00 00 00 00 00 00 00
{262} normal block at 0x0000019B92665C40, 16 bytes long.
Data: <0If > 30 49 66 92 9B 01 00 00 00 00 00 00 00 00 00 00
{261} normal block at 0x0000019B92664930, 40 bytes long.
Data: <@\f P e > 40 5C 66 92 9B 01 00 00 50 05 65 92 9B 01 00 00
{260} normal block at 0x0000019B92665830, 16 bytes long.
Data: <`af > 60 61 66 92 9B 01 00 00 00 00 00 00 00 00 00 00
{259} normal block at 0x0000019B92665790, 16 bytes long.
Data: <8af > 38 61 66 92 9B 01 00 00 00 00 00 00 00 00 00 00
{258} normal block at 0x0000019B926606C0, 32 bytes long.
Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F
{257} normal block at 0x0000019B92665A60, 16 bytes long.
Data: < af > 10 61 66 92 9B 01 00 00 00 00 00 00 00 00 00 00
{256} normal block at 0x0000019B92666110, 992 bytes long.
Data: <`Zf f > 60 5A 66 92 9B 01 00 00 C0 06 66 92 9B 01 00 00
{92} normal block at 0x0000019B92660D80, 32 bytes long.
Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F
{91} normal block at 0x0000019B9265D570, 16 bytes long.
Data: < f > 20 04 66 92 9B 01 00 00 00 00 00 00 00 00 00 00
{90} normal block at 0x0000019B92660420, 40 bytes long.
Data: <p e f > 70 D5 65 92 9B 01 00 00 80 0D 66 92 9B 01 00 00
{69} normal block at 0x0000019B9265D520, 16 bytes long.
Data: < > 80 EA 81 12 F7 7F 00 00 00 00 00 00 00 00 00 00
{68} normal block at 0x0000019B9265D4D0, 16 bytes long.
Data: <@ > 40 E9 81 12 F7 7F 00 00 00 00 00 00 00 00 00 00
{67} normal block at 0x0000019B9265CF80, 16 bytes long.
Data: < W~ > F8 57 7E 12 F7 7F 00 00 00 00 00 00 00 00 00 00
{66} normal block at 0x0000019B9265D6B0, 16 bytes long.
Data: < W~ > D8 57 7E 12 F7 7F 00 00 00 00 00 00 00 00 00 00
{65} normal block at 0x0000019B9265CEE0, 16 bytes long.
Data: <P ~ > 50 04 7E 12 F7 7F 00 00 00 00 00 00 00 00 00 00
{64} normal block at 0x0000019B9265D750, 16 bytes long.
Data: <0 ~ > 30 04 7E 12 F7 7F 00 00 00 00 00 00 00 00 00 00
{63} normal block at 0x0000019B9265CE90, 16 bytes long.
Data: < ~ > E0 02 7E 12 F7 7F 00 00 00 00 00 00 00 00 00 00
{62} normal block at 0x0000019B9265DCF0, 16 bytes long.
Data: < ~ > 10 04 7E 12 F7 7F 00 00 00 00 00 00 00 00 00 00
{61} normal block at 0x0000019B9265DA70, 16 bytes long.
Data: <p ~ > 70 04 7E 12 F7 7F 00 00 00 00 00 00 00 00 00 00
{60} normal block at 0x0000019B9265D0C0, 16 bytes long.
Data: < | > 18 C0 7C 12 F7 7F 00 00 00 00 00 00 00 00 00 00
Object dump complete.
</stderr_txt>
]]>
©2025 Universitat Pompeu Fabra