Task 38608747

Name p38_A27_A22_r0_3-QUICO_ATM_GAFF2_NAGL_p38-5-6-RND3156_0
Workunit 31561965
Created 14 Apr 2026, 18:12:16 UTC
Sent 14 Apr 2026, 18:12:21 UTC
Report deadline 19 Apr 2026, 18:12:21 UTC
Received 15 Apr 2026, 15:20:08 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 651994
Run time 4 hours 37 min 47 sec
CPU time 4 hours 37 min 47 sec
Validate state Valid
Credit 750,000.00
Device peak FLOPS 50,489.32 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 665.23 MB
Peak swap size 13.04 GB
Peak disk usage 3.55 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<stderr_txt>
12:22:50 (23896): wrapper (7.9.26016): starting
12:22:50 (23896): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A27_A22_0.pdb
QB_A27_A22_0.xml
QB_A27_A22.inpcrd
QB_A27_A22_input.yaml
QB_A27_A22.pdb
QB_A27_A22.prmtop
QB_A27_A22_sys.xml
run.bat
run.sh
12:22:51 (23896): Library/usr/bin/tar.exe exited; CPU time 0.031250
12:22:51 (23896): 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:\Boinc\004\slots\2\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:\Boinc\004\slots\2\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
17:16:18 (23896): C:/Windows/system32/cmd.exe exited; CPU time 16667.734375
17:16:18 (23896): called boinc_finish(0)
0 bytes in 0 Free Blocks.
456 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: 559703769 bytes.
Dumping objects ->
{3835556} normal block at 0x0000026AC4734880, 48 bytes long.
 Data: <PATH=c:\boinc\00> 50 41 54 48 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30 
{3835545} normal block at 0x0000026AC6576DA0, 32 bytes long.
 Data: <HOME=c:\boinc\00> 48 4F 4D 45 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30 
{3835534} normal block at 0x0000026AC6576C80, 32 bytes long.
 Data: <TMP=c:\boinc\004> 54 4D 50 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30 34 
{3835523} normal block at 0x0000026AC6576C20, 32 bytes long.
 Data: <TEMP=c:\boinc\00> 54 45 4D 50 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30 
{3835512} normal block at 0x0000026AC6576B60, 32 bytes long.
 Data: <TMPDIR=c:\boinc\> 54 4D 50 44 49 52 3D 63 3A 5C 62 6F 69 6E 63 5C 
{3835481} normal block at 0x0000026AC4734960, 48 bytes long.
 Data: <PATH=c:\boinc\00> 50 41 54 48 3D 63 3A 5C 62 6F 69 6E 63 5C 30 30 
{3835470} normal block at 0x0000026AC4799E70, 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) : {3835467} normal block at 0x0000026AC472DA90, 8 bytes long.
 Data: <  >&#198;j   > 00 00 3E C6 6A 02 00 00 
{3834691} normal block at 0x0000026AC4799DA0, 140 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833963} normal block at 0x0000026AC472DB30, 8 bytes long.
 Data: < &#215;q&#196;j   > 10 D7 71 C4 6A 02 00 00 
..\zip\boinc_zip.cpp(122) : {313} normal block at 0x0000026AC4720C10, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{298} normal block at 0x0000026AC4722310, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{297} normal block at 0x0000026AC4735E60, 16 bytes long.
 Data: <&#184;es&#196;j           > B8 65 73 C4 6A 02 00 00 00 00 00 00 00 00 00 00 
{296} normal block at 0x0000026AC4735500, 16 bytes long.
 Data: < es&#196;j           > 90 65 73 C4 6A 02 00 00 00 00 00 00 00 00 00 00 
{295} normal block at 0x0000026AC4730980, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{294} normal block at 0x0000026AC4735870, 16 bytes long.
 Data: <hes&#196;j           > 68 65 73 C4 6A 02 00 00 00 00 00 00 00 00 00 00 
{293} normal block at 0x0000026AC4735FA0, 16 bytes long.
 Data: <@es&#196;j           > 40 65 73 C4 6A 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x0000026AC4735410, 16 bytes long.
 Data: < es&#196;j           > 18 65 73 C4 6A 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x0000026AC47354B0, 16 bytes long.
 Data: <&#240;ds&#196;j           > F0 64 73 C4 6A 02 00 00 00 00 00 00 00 00 00 00 
{290} normal block at 0x0000026AC47348F0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{289} normal block at 0x0000026AC4735D70, 16 bytes long.
 Data: <&#248;&#237;q&#196;j           > F8 ED 71 C4 6A 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000026AC4730C80, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{287} normal block at 0x0000026AC4735460, 16 bytes long.
 Data: <&#208;&#237;q&#196;j           > D0 ED 71 C4 6A 02 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000026AC4735BE0, 16 bytes long.
 Data: <&#168;&#237;q&#196;j           > A8 ED 71 C4 6A 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x0000026AC4735D20, 16 bytes long.
 Data: < &#237;q&#196;j           > 80 ED 71 C4 6A 02 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000026AC4735F50, 16 bytes long.
 Data: <X&#237;q&#196;j           > 58 ED 71 C4 6A 02 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000026AC4735730, 16 bytes long.
 Data: <0&#237;q&#196;j           > 30 ED 71 C4 6A 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000026AC47355A0, 16 bytes long.
 Data: < &#237;q&#196;j           > 08 ED 71 C4 6A 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000026AC47308C0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{279} normal block at 0x0000026AC4735A50, 16 bytes long.
 Data: <&#224;&#236;q&#196;j           > E0 EC 71 C4 6A 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000026AC471ECE0, 320 bytes long.
 Data: <PZs&#196;j   &#192; s&#196;j   > 50 5A 73 C4 6A 02 00 00 C0 08 73 C4 6A 02 00 00 
{277} normal block at 0x0000026AC4735B90, 16 bytes long.
 Data: <&#208;ds&#196;j           > D0 64 73 C4 6A 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x0000026AC4735E10, 16 bytes long.
 Data: <&#168;ds&#196;j           > A8 64 73 C4 6A 02 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000026AC4730B60, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{274} normal block at 0x0000026AC4735DC0, 16 bytes long.
 Data: < ds&#196;j           > 80 64 73 C4 6A 02 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000026AC4730B00, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{272} normal block at 0x0000026AC4735370, 16 bytes long.
 Data: <&#200;cs&#196;j           > C8 63 73 C4 6A 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000026AC4735320, 16 bytes long.
 Data: <&#160;cs&#196;j           > A0 63 73 C4 6A 02 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000026AC4735690, 16 bytes long.
 Data: <xcs&#196;j           > 78 63 73 C4 6A 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x0000026AC4735A00, 16 bytes long.
 Data: <Pcs&#196;j           > 50 63 73 C4 6A 02 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000026AC4735CD0, 16 bytes long.
 Data: <(cs&#196;j           > 28 63 73 C4 6A 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x0000026AC4735F00, 16 bytes long.
 Data: < cs&#196;j           > 00 63 73 C4 6A 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000026AC47359B0, 16 bytes long.
 Data: <pLs&#196;j           > 70 4C 73 C4 6A 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x0000026AC4734C70, 40 bytes long.
 Data: <&#176;Ys&#196;j   `Is&#196;j   > B0 59 73 C4 6A 02 00 00 60 49 73 C4 6A 02 00 00 
{263} normal block at 0x0000026AC47352D0, 16 bytes long.
 Data: <&#224;bs&#196;j           > E0 62 73 C4 6A 02 00 00 00 00 00 00 00 00 00 00 
{262} normal block at 0x0000026AC4735AF0, 16 bytes long.
 Data: <&#184;bs&#196;j           > B8 62 73 C4 6A 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000026AC4730860, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{260} normal block at 0x0000026AC4736220, 16 bytes long.
 Data: < bs&#196;j           > 90 62 73 C4 6A 02 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000026AC4736290, 992 bytes long.
 Data: < bs&#196;j   ` s&#196;j   > 20 62 73 C4 6A 02 00 00 60 08 73 C4 6A 02 00 00 
{95} normal block at 0x0000026AC4730800, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{94} normal block at 0x0000026AC472D720, 16 bytes long.
 Data: <p&#210;q&#196;j           > 70 D2 71 C4 6A 02 00 00 00 00 00 00 00 00 00 00 
{93} normal block at 0x0000026AC471D270, 40 bytes long.
 Data: < &#215;r&#196;j     s&#196;j   > 20 D7 72 C4 6A 02 00 00 00 08 73 C4 6A 02 00 00 
{72} normal block at 0x0000026AC472D590, 16 bytes long.
 Data: < &#234;&#167;&#146;&#247;           > 80 EA A7 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{71} normal block at 0x0000026AC472D090, 16 bytes long.
 Data: <@&#233;&#167;&#146;&#247;           > 40 E9 A7 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{70} normal block at 0x0000026AC472DA40, 16 bytes long.
 Data: <&#248;W&#164;&#146;&#247;           > F8 57 A4 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{69} normal block at 0x0000026AC472D450, 16 bytes long.
 Data: <&#216;W&#164;&#146;&#247;           > D8 57 A4 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{68} normal block at 0x0000026AC472D360, 16 bytes long.
 Data: <P &#164;&#146;&#247;           > 50 04 A4 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x0000026AC472D540, 16 bytes long.
 Data: <0 &#164;&#146;&#247;           > 30 04 A4 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x0000026AC472D810, 16 bytes long.
 Data: <&#224; &#164;&#146;&#247;           > E0 02 A4 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x0000026AC472D6D0, 16 bytes long.
 Data: <  &#164;&#146;&#247;           > 10 04 A4 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x0000026AC472D4A0, 16 bytes long.
 Data: <p &#164;&#146;&#247;           > 70 04 A4 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x0000026AC472D630, 16 bytes long.
 Data: < &#192;&#162;&#146;&#247;           > 18 C0 A2 92 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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